9,12-dimethylbenzo[c]phenanthren-3-ol

C20H16O — CID 15488090

IUPAC9,12-dimethylbenzo[c]phenanthren-3-ol
SMILESCc1ccc(C)c2c1ccc1ccc3cc(O)ccc3c12
InChIInChI=1S/C20H16O/c1-12-3-4-13(2)19-17(12)9-7-14-5-6-15-11-16(21)8-10-18(15)20(14)19/h3-11,21H,1-2H3
InChIKeyHSRKJFMJZYQPCZ-UHFFFAOYSA-N
MW272.35 g/mol
LogP5.47
Rot. Bonds

About 9,12-dimethylbenzo[c]phenanthren-3-ol

9,12-dimethylbenzo[c]phenanthren-3-ol (PubChem CID 15488090) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 9,12-dimethylbenzo[c]phenanthren-3-ol.

Molecular Properties

Compound Name9,12-dimethylbenzo[c]phenanthren-3-ol
PubChem CID15488090
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name9,12-dimethylbenzo[c]phenanthren-3-ol
SMILESCc1ccc(C)c2c1ccc1ccc3cc(O)ccc3c12
InChIInChI=1S/C20H16O/c1-12-3-4-13(2)19-17(12)9-7-14-5-6-15-11-16(21)8-10-18(15)20(14)19/h3-11,21H,1-2H3
InChIKeyHSRKJFMJZYQPCZ-UHFFFAOYSA-N
XLogP5.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.35
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9,12-dimethylbenzo[c]phenanthren-3-ol?
The IUPAC name of 9,12-dimethylbenzo[c]phenanthren-3-ol (CID 15488090) is 9,12-dimethylbenzo[c]phenanthren-3-ol.
What is the SMILES notation for 9,12-dimethylbenzo[c]phenanthren-3-ol?
The canonical SMILES for 9,12-dimethylbenzo[c]phenanthren-3-ol is Cc1ccc(C)c2c1ccc1ccc3cc(O)ccc3c12.
What is the InChIKey of 9,12-dimethylbenzo[c]phenanthren-3-ol?
The InChIKey is HSRKJFMJZYQPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c1-12-3-4-13(2)19-17(12)9-7-14-5-6-15-11-16(21)8-10-18(15)20(14)19/h3-11,21H,1-2H3.
What are the key properties of 9,12-dimethylbenzo[c]phenanthren-3-ol?
9,12-dimethylbenzo[c]phenanthren-3-ol has a molecular weight of 272.35 g/mol, XLogP of 5.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,12-dimethylbenzo[c]phenanthren-3-ol is sourced from PubChem (CID 15488090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).