2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol

C19H24O2 — CID 928986

IUPAC2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol
SMILESOc1ccccc1[C@H]1O[C@H]2CCCC[C@@H]2C2=CCCC[C@@H]21
InChIInChI=1S/C19H24O2/c20-17-11-5-3-10-16(17)19-15-9-2-1-7-13(15)14-8-4-6-12-18(14)21-19/h3,5,7,10-11,14-15,18-20H,1-2,4,6,8-9,12H2/t14-,15+,18+,19+/m1/s1
InChIKeyOHGDLAIDNZPIJH-PDWMJMLSSA-N
MW284.40 g/mol
LogP4.75
Rot. Bonds1

About 2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol

2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol (PubChem CID 928986) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol.

Molecular Properties

Compound Name2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol
PubChem CID928986
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol
SMILESOc1ccccc1[C@H]1O[C@H]2CCCC[C@@H]2C2=CCCC[C@@H]21
InChIInChI=1S/C19H24O2/c20-17-11-5-3-10-16(17)19-15-9-2-1-7-13(15)14-8-4-6-12-18(14)21-19/h3,5,7,10-11,14-15,18-20H,1-2,4,6,8-9,12H2/t14-,15+,18+,19+/m1/s1
InChIKeyOHGDLAIDNZPIJH-PDWMJMLSSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol with MolForge

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Related Compounds

2-[2-[(4aR,6R,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenoxy]acetate
CID 7071952
4-[(4aR,6R,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N-dimethylaniline
CID 100852185
3-(2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl)pyridine
CID 572778
(4aR,6S,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 25422395
(4aR,6R,6aR,10bR)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 25422397
(4aS,6S,6aR,10bS)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 11872593
(4aS,6R,6aS,10bS)-6-propan-2-yl-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromene
CID 11872594
2-[(4aS,6S,6aS,10bS)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]-N,N,2-trimethylpropan-1-amine
CID 11909373
2-(2-bromocyclohex-2-en-1-yl)phenol
CID 135033672
2-cyclododecylphenol
CID 22381643
2-(2-ethenylcyclohex-2-en-1-yl)phenol
CID 135033026
3-hydroxy-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromen-4-one
CID 134693339

Frequently Asked Questions

What is the IUPAC name of 2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol?
The IUPAC name of 2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol (CID 928986) is 2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol.
What is the SMILES notation for 2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol?
The canonical SMILES for 2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol is Oc1ccccc1[C@H]1O[C@H]2CCCC[C@@H]2C2=CCCC[C@@H]21.
What is the InChIKey of 2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol?
The InChIKey is OHGDLAIDNZPIJH-PDWMJMLSSA-N. The full InChI is InChI=1S/C19H24O2/c20-17-11-5-3-10-16(17)19-15-9-2-1-7-13(15)14-8-4-6-12-18(14)21-19/h3,5,7,10-11,14-15,18-20H,1-2,4,6,8-9,12H2/t14-,15+,18+,19+/m1/s1.
What are the key properties of 2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol?
2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol has a molecular weight of 284.40 g/mol, XLogP of 4.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aS,6S,6aS,10bR)-2,3,4,4a,6,6a,7,8,9,10b-decahydro-1H-benzo[c]chromen-6-yl]phenol is sourced from PubChem (CID 928986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).