4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol

C19H20O2 — CID 66652150

IUPAC4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol
SMILESOc1ccc(C2Cc3ccc(O)cc3C3CCCC23)cc1
InChIInChI=1S/C19H20O2/c20-14-7-4-12(5-8-14)18-10-13-6-9-15(21)11-19(13)17-3-1-2-16(17)18/h4-9,11,16-18,20-21H,1-3,10H2
InChIKeySEWCKJWIAMTJTR-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.32
Rot. Bonds1

About 4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol

4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol (PubChem CID 66652150) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol
PubChem CID66652150
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol
SMILESOc1ccc(C2Cc3ccc(O)cc3C3CCCC23)cc1
InChIInChI=1S/C19H20O2/c20-14-7-4-12(5-8-14)18-10-13-6-9-15(21)11-19(13)17-3-1-2-16(17)18/h4-9,11,16-18,20-21H,1-3,10H2
InChIKeySEWCKJWIAMTJTR-UHFFFAOYSA-N
XLogP4.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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alpha-Estradiol
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2-Naphthol
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Hexestrol
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Equilin
CID 223368
9-Phenanthrol
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1-Hydroxypyrene
CID 21387
2-Hydroxyestradiol
CID 247304
1,1-Bis(4-hydroxyphenyl)cyclohexane
CID 232446

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol?
The IUPAC name of 4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol (CID 66652150) is 4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol.
What is the SMILES notation for 4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol?
The canonical SMILES for 4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol is Oc1ccc(C2Cc3ccc(O)cc3C3CCCC23)cc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol?
The InChIKey is SEWCKJWIAMTJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-14-7-4-12(5-8-14)18-10-13-6-9-15(21)11-19(13)17-3-1-2-16(17)18/h4-9,11,16-18,20-21H,1-3,10H2.
What are the key properties of 4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol?
4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol has a molecular weight of 280.37 g/mol, XLogP of 4.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-8-ol is sourced from PubChem (CID 66652150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).