5,7-dimethoxyphenanthren-2-ol

C16H14O3 — CID 71441984

IUPAC5,7-dimethoxyphenanthren-2-ol
SMILESCOc1cc(OC)c2c(ccc3cc(O)ccc32)c1
InChIInChI=1S/C16H14O3/c1-18-13-8-11-4-3-10-7-12(17)5-6-14(10)16(11)15(9-13)19-2/h3-9,17H,1-2H3
InChIKeyJMSVKBYLDVYHGG-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.72
Rot. Bonds2

About 5,7-dimethoxyphenanthren-2-ol

5,7-dimethoxyphenanthren-2-ol (PubChem CID 71441984) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is 5,7-dimethoxyphenanthren-2-ol.

Molecular Properties

Compound Name5,7-dimethoxyphenanthren-2-ol
PubChem CID71441984
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Name5,7-dimethoxyphenanthren-2-ol
SMILESCOc1cc(OC)c2c(ccc3cc(O)ccc32)c1
InChIInChI=1S/C16H14O3/c1-18-13-8-11-4-3-10-7-12(17)5-6-14(10)16(11)15(9-13)19-2/h3-9,17H,1-2H3
InChIKeyJMSVKBYLDVYHGG-UHFFFAOYSA-N
XLogP3.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,7-dimethoxyphenanthren-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxyphenanthren-2-ol?
The IUPAC name of 5,7-dimethoxyphenanthren-2-ol (CID 71441984) is 5,7-dimethoxyphenanthren-2-ol.
What is the SMILES notation for 5,7-dimethoxyphenanthren-2-ol?
The canonical SMILES for 5,7-dimethoxyphenanthren-2-ol is COc1cc(OC)c2c(ccc3cc(O)ccc32)c1.
What is the InChIKey of 5,7-dimethoxyphenanthren-2-ol?
The InChIKey is JMSVKBYLDVYHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O3/c1-18-13-8-11-4-3-10-7-12(17)5-6-14(10)16(11)15(9-13)19-2/h3-9,17H,1-2H3.
What are the key properties of 5,7-dimethoxyphenanthren-2-ol?
5,7-dimethoxyphenanthren-2-ol has a molecular weight of 254.28 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxyphenanthren-2-ol is sourced from PubChem (CID 71441984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).