2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline

C34H38N2O3 — CID 159307078

IUPAC2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)NCCO2
InChIInChI=1S/C9H11N.C9H10O.C8H9NO.C8H8O/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-8/h1-2,4,6,10H,3,5,7H2;1-2,4,6H,3,5,7H2;1-4,9H,5-6H2;1-4H,5-6H2
InChIKeyLCAZEOMISBLSTD-UHFFFAOYSA-N
MW522.69 g/mol
LogP7.17
Rot. Bonds

About 2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline

2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline (PubChem CID 159307078) has the molecular formula C34H38N2O3 and a molecular weight of 522.69 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline
PubChem CID159307078
Molecular FormulaC34H38N2O3
Molecular Weight522.69 g/mol
Exact Mass522.29
IUPAC Name2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline
SMILESc1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)NCCO2
InChIInChI=1S/C9H11N.C9H10O.C8H9NO.C8H8O/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-8/h1-2,4,6,10H,3,5,7H2;1-2,4,6H,3,5,7H2;1-4,9H,5-6H2;1-4H,5-6H2
InChIKeyLCAZEOMISBLSTD-UHFFFAOYSA-N
XLogP7.17
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.69
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-4-[4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl]-3-(1,2,3,4-tetrahydro-quinolin-7-ylmethoxy)-piperidine
CID 25099190
N-(2-phenoxyethyl)-2-[2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-1-yl]aniline
CID 42598727
(3S)-3-[(4-methoxyphenyl)methyl]-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine
CID 166627682
10-[3-[[(2S,3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methoxy]propyl]phenoxazine;hydrochloride
CID 155527738
3-phenyl-3,4-dihydro-2H-1,4-benzoxazine
CID 12474572
2-[bis(4-fluorophenyl)methoxy]-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-methylethanamine
CID 10717213
4-(4-Oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-2-yl)aniline
CID 72545788
(3R)-3-[(4-methoxyphenyl)methyl]-4-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2,3-dihydro-1,4-benzoxazine
CID 166635708
3,4-Dihydro-3beta-phenyl-2H-1,4-benzooxazine
CID 69780407
10-[4-[[(2S,3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methoxy]butyl]phenoxazine;hydrochloride
CID 155521704
10-[5-[[(2S,3R)-3-(4-octylphenyl)pyrrolidin-2-yl]methoxy]pentyl]phenoxazine;hydrochloride
CID 155569035
N-[(4-benzyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-2-[bis(4-fluorophenyl)methoxy]ethanamine
CID 10529398

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline (CID 159307078) is 2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline is c1ccc2c(c1)CCCN2.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)NCCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline?
The InChIKey is LCAZEOMISBLSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.C9H10O.C8H9NO.C8H8O/c2*1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-7(3-1)5-6-9-8/h1-2,4,6,10H,3,5,7H2;1-2,4,6H,3,5,7H2;1-4,9H,5-6H2;1-4H,5-6H2.
What are the key properties of 2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline?
2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline has a molecular weight of 522.69 g/mol, XLogP of 7.17, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran;3,4-dihydro-2H-1,4-benzoxazine;3,4-dihydro-2H-chromene;1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 159307078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).