benzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene

C84H116O7 — CID 159034783

IUPACbenzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene
SMILESC.C.C.C.C.C.C.C.C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)COC2.c1ccc2c(c1)OCCO2.c1ccccc1
InChIInChI=1S/C10H12.2C9H10O.C9H10.C8H8O2.3C8H8O.C6H6.9CH4/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;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;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;;;;;;;;;/h1-2,5-6H,3-4,7-8H2;2*1-2,4,6H,3,5,7H2;1-2,4-5H,3,6-7H2;1-4H,5-6H2;3*1-4H,5-6H2;1-6H;9*1H4
InChIKeyJVIDJRYNUJBIJE-UHFFFAOYSA-N
MW1237.84 g/mol
LogP22.59
Rot. Bonds

About benzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene

benzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene (PubChem CID 159034783) has the molecular formula C84H116O7 and a molecular weight of 1237.84 g/mol. Its IUPAC name is benzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Namebenzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene
PubChem CID159034783
Molecular FormulaC84H116O7
Molecular Weight1237.84 g/mol
Exact Mass1236.87
IUPAC Namebenzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene
SMILESC.C.C.C.C.C.C.C.C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)COC2.c1ccc2c(c1)OCCO2.c1ccccc1
InChIInChI=1S/C10H12.2C9H10O.C9H10.C8H8O2.3C8H8O.C6H6.9CH4/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;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;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;;;;;;;;;/h1-2,5-6H,3-4,7-8H2;2*1-2,4,6H,3,5,7H2;1-2,4-5H,3,6-7H2;1-4H,5-6H2;3*1-4H,5-6H2;1-6H;9*1H4
InChIKeyJVIDJRYNUJBIJE-UHFFFAOYSA-N
XLogP22.59
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.84
LogP ≤ 522.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze benzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

[5-[Bis(2,3-dihydro-1-benzofuran-7-yl)phosphanyloxy]-9,9-dimethylxanthen-4-yl]oxy-bis(2,3-dihydro-1-benzofuran-7-yl)phosphane
CID 121441300
bis(2,3-dihydro-1-benzofuran-7-yl)-[3-[2,3-dihydro-1-benzofuran-7-yl-(1-methyl-3,4-dihydro-1H-isochromen-8-yl)phosphanyl]propyl]phosphane
CID 123450543
3-(2,3-dihydro-1-benzofuran-2-yl)-3-(3,4-dihydro-2H-chromen-2-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-2H-1,4-benzodioxine
CID 141214910
3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;ethane;toluene
CID 157054374
1,3-Benzodioxole;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;tetrakis(2-methylpropane)
CID 157268146
3,4-dimethyl-2,3-dihydro-1-benzofuran;methane;4-methyl-1,3-benzodioxole;5-methyl-2,3-dihydro-1,4-benzodioxine;4-methyl-2,3-dihydro-1-benzofuran;7-methyl-2,3-dihydro-1-benzofuran;5-methyl-3,4-dihydro-2H-chromene
CID 157655489
4H-chromene;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;ethane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene
CID 157665521
5-Propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-2,3-dihydro-1-benzofuran;5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-2,3-dihydro-1-benzofuran
CID 157676784
3,4-dimethyl-2,3-dihydro-1-benzofuran;4-methyl-1,3-benzodioxole;5-methyl-2,3-dihydro-1,4-benzodioxine;4-methyl-2,3-dihydro-1-benzofuran;7-methyl-2,3-dihydro-1-benzofuran;5-methyl-3,4-dihydro-2H-chromene
CID 157690291
1,3-benzodioxole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;tetrakis(2,2-dimethylpropane)
CID 157713838
4H-chromene;2,3-dihydro-1,4-benzodioxine;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indene;ethane;methane;6,7,8,9-tetrahydro-5H-benzo[7]annulene;1,2,3,4-tetrahydronaphthalene
CID 157853687
4-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1,4-benzodioxine;4-propan-2-yl-3,4-dihydro-2H-chromene;1-propan-2-yl-2,3-dihydro-1H-indene;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 157980057

Frequently Asked Questions

What is the IUPAC name of benzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene?
The IUPAC name of benzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene (CID 159034783) is benzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for benzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for benzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene is C.C.C.C.C.C.C.C.C.c1ccc2c(c1)CCC2.c1ccc2c(c1)CCCC2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)COC2.c1ccc2c(c1)OCCO2.c1ccccc1.
What is the InChIKey of benzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene?
The InChIKey is JVIDJRYNUJBIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.2C9H10O.C9H10.C8H8O2.3C8H8O.C6H6.9CH4/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2-6-9-8(4-1)5-3-7-10-9;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;2*1-2-4-8-7(3-1)5-6-9-8;1-2-4-6-5-3-1;;;;;;;;;/h1-2,5-6H,3-4,7-8H2;2*1-2,4,6H,3,5,7H2;1-2,4-5H,3,6-7H2;1-4H,5-6H2;3*1-4H,5-6H2;1-6H;9*1H4.
What are the key properties of benzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene?
benzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene has a molecular weight of 1237.84 g/mol, XLogP of 22.59, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;2,3-dihydro-1,4-benzodioxine;1,3-dihydro-2-benzofuran;bis(2,3-dihydro-1-benzofuran);bis(3,4-dihydro-2H-chromene);2,3-dihydro-1H-indene;methane;1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 159034783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).