1H-cyclopenta[a]phenanthren-17-ol

C17H12O — CID 87246726

IUPAC1H-cyclopenta[a]phenanthren-17-ol
SMILESOC1=c2ccc3c4c(ccc3c2C=C1)=CC=CC4
InChIInChI=1S/C17H12O/c18-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)17/h1-3,5-10,18H,4H2
InChIKeyHYLYVXJMRXBVAT-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.43
Rot. Bonds

About 1H-cyclopenta[a]phenanthren-17-ol

1H-cyclopenta[a]phenanthren-17-ol (PubChem CID 87246726) has the molecular formula C17H12O and a molecular weight of 232.28 g/mol. Its IUPAC name is 1H-cyclopenta[a]phenanthren-17-ol.

Molecular Properties

Compound Name1H-cyclopenta[a]phenanthren-17-ol
PubChem CID87246726
Molecular FormulaC17H12O
Molecular Weight232.28 g/mol
Exact Mass232.09
IUPAC Name1H-cyclopenta[a]phenanthren-17-ol
SMILESOC1=c2ccc3c4c(ccc3c2C=C1)=CC=CC4
InChIInChI=1S/C17H12O/c18-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)17/h1-3,5-10,18H,4H2
InChIKeyHYLYVXJMRXBVAT-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-17-ol?
The IUPAC name of 1H-cyclopenta[a]phenanthren-17-ol (CID 87246726) is 1H-cyclopenta[a]phenanthren-17-ol.
What is the SMILES notation for 1H-cyclopenta[a]phenanthren-17-ol?
The canonical SMILES for 1H-cyclopenta[a]phenanthren-17-ol is OC1=c2ccc3c4c(ccc3c2C=C1)=CC=CC4.
What is the InChIKey of 1H-cyclopenta[a]phenanthren-17-ol?
The InChIKey is HYLYVXJMRXBVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O/c18-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)17/h1-3,5-10,18H,4H2.
What are the key properties of 1H-cyclopenta[a]phenanthren-17-ol?
1H-cyclopenta[a]phenanthren-17-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-17-ol is sourced from PubChem (CID 87246726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).