1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene

C182H204O13S7 — CID 159627574

IUPAC1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene
SMILESc1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCO2.c1ccc2c(c1)CCCCS2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCOC2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCCSC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCOCC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CCSCC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1ccc2c(c1)OCCCO2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCO2
InChIInChI=1S/C11H14.3C10H12O.3C10H12S.C10H12.C9H10O2.2C9H10O.2C9H10S.C9H10.C8H8O2.2C8H8O.2C8H8S.C7H6O2/c1-2-6-10-8-4-5-9-11(10)7-3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7/h4-5,8-9H,1-3,6-7H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-4H,5-8H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-4H,5-8H2;1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4-5H,3,6-7H2;1-4H,5-6H2;4*1-4H,5-6H2;1-4H,5H2
InChIKeyMORUELDRCCCCOR-UHFFFAOYSA-N
MW2824.09 g/mol
LogP44.35
Rot. Bonds

About 1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene

1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene (PubChem CID 159627574) has the molecular formula C182H204O13S7 and a molecular weight of 2824.09 g/mol. Its IUPAC name is 1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene
PubChem CID159627574
Molecular FormulaC182H204O13S7
Molecular Weight2824.09 g/mol
Exact Mass2821.33
IUPAC Name1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene
SMILESc1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCO2.c1ccc2c(c1)CCCCS2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCOC2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCCSC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCOCC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CCSCC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1ccc2c(c1)OCCCO2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCO2
InChIInChI=1S/C11H14.3C10H12O.3C10H12S.C10H12.C9H10O2.2C9H10O.2C9H10S.C9H10.C8H8O2.2C8H8O.2C8H8S.C7H6O2/c1-2-6-10-8-4-5-9-11(10)7-3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7/h4-5,8-9H,1-3,6-7H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-4H,5-8H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-4H,5-8H2;1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4-5H,3,6-7H2;1-4H,5-6H2;4*1-4H,5-6H2;1-4H,5H2
InChIKeyMORUELDRCCCCOR-UHFFFAOYSA-N
XLogP44.35
TPSA119.99 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms202
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002824.09
LogP ≤ 544.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;2,3-dihydro-1,4-benzoxathiine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;1,2,3,4-tetrahydronaphthalene
CID 159647113
1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-2H-thiochromene;hexakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 161746645
1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-2H-thiochromene;octakis(2-methylpropane);1,2,3,4-tetrahydronaphthalene
CID 162156712

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene (CID 159627574) is 1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene is c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCCC2.c1ccc2c(c1)CCCCO2.c1ccc2c(c1)CCCCS2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCOC2.c1ccc2c(c1)CCCS2.c1ccc2c(c1)CCCSC2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)CCOCC2.c1ccc2c(c1)CCS2.c1ccc2c(c1)CCSC2.c1ccc2c(c1)CCSCC2.c1ccc2c(c1)COC2.c1ccc2c(c1)CSC2.c1ccc2c(c1)OCCCO2.c1ccc2c(c1)OCCO2.c1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene?
The InChIKey is MORUELDRCCCCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14.3C10H12O.3C10H12S.C10H12.C9H10O2.2C9H10O.2C9H10S.C9H10.C8H8O2.2C8H8O.2C8H8S.C7H6O2/c1-2-6-10-8-4-5-9-11(10)7-3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;1-2-7-10-9(5-1)6-3-4-8-11-10;1-2-5-10-8-11-7-3-6-9(10)4-1;1-2-4-10-6-8-11-7-5-9(10)3-1;1-2-6-10-8-4-3-7-9(10)5-1;1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-9-7-3-6-8(9)4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7/h4-5,8-9H,1-3,6-7H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-4H,5-8H2;1-2,5,7H,3-4,6,8H2;1-2,4-5H,3,6-8H2;1-4H,5-8H2;1-2,5-6H,3-4,7-8H2;1-2,4-5H,3,6-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1-2,4-5H,3,6-7H2;1-4H,5-6H2;4*1-4H,5-6H2;1-4H,5H2.
What are the key properties of 1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene?
1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene has a molecular weight of 2824.09 g/mol, XLogP of 44.35, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxole;3,4-dihydro-2H-1,5-benzodioxepine;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;1,3-dihydro-2-benzothiophene;2,3-dihydro-1-benzothiophene;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;3,4-dihydro-1H-isochromene;3,4-dihydro-1H-isothiochromene;3,4-dihydro-2H-thiochromene;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,4,5-tetrahydro-3-benzothiepine;1,3,4,5-tetrahydro-2-benzothiepine;2,3,4,5-tetrahydro-1-benzothiepine;1,2,4,5-tetrahydro-3-benzoxepine;1,3,4,5-tetrahydro-2-benzoxepine;2,3,4,5-tetrahydro-1-benzoxepine;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159627574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).