1H-cyclopenta[a]phenanthren-3-ol

C17H12O — CID 87660241

IUPAC1H-cyclopenta[a]phenanthren-3-ol
SMILESOC1=CCc2c(ccc3c4c(ccc23)=CC=C4)=C1
InChIInChI=1S/C17H12O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h1-8,10,18H,9H2
InChIKeyAEBZHTIAIWJKSX-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.43
Rot. Bonds

About 1H-cyclopenta[a]phenanthren-3-ol

1H-cyclopenta[a]phenanthren-3-ol (PubChem CID 87660241) has the molecular formula C17H12O and a molecular weight of 232.28 g/mol. Its IUPAC name is 1H-cyclopenta[a]phenanthren-3-ol.

Molecular Properties

Compound Name1H-cyclopenta[a]phenanthren-3-ol
PubChem CID87660241
Molecular FormulaC17H12O
Molecular Weight232.28 g/mol
Exact Mass232.09
IUPAC Name1H-cyclopenta[a]phenanthren-3-ol
SMILESOC1=CCc2c(ccc3c4c(ccc23)=CC=C4)=C1
InChIInChI=1S/C17H12O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h1-8,10,18H,9H2
InChIKeyAEBZHTIAIWJKSX-UHFFFAOYSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-cyclopenta[a]phenanthren-3-ol?
The IUPAC name of 1H-cyclopenta[a]phenanthren-3-ol (CID 87660241) is 1H-cyclopenta[a]phenanthren-3-ol.
What is the SMILES notation for 1H-cyclopenta[a]phenanthren-3-ol?
The canonical SMILES for 1H-cyclopenta[a]phenanthren-3-ol is OC1=CCc2c(ccc3c4c(ccc23)=CC=C4)=C1.
What is the InChIKey of 1H-cyclopenta[a]phenanthren-3-ol?
The InChIKey is AEBZHTIAIWJKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h1-8,10,18H,9H2.
What are the key properties of 1H-cyclopenta[a]phenanthren-3-ol?
1H-cyclopenta[a]phenanthren-3-ol has a molecular weight of 232.28 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclopenta[a]phenanthren-3-ol is sourced from PubChem (CID 87660241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).