3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol

C16H16O4 — CID 10401022

IUPAC3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol
SMILESCOc1c(O)cc2c(c1OC)-c1ccc(O)cc1CC2
InChIInChI=1S/C16H16O4/c1-19-15-13(18)8-10-4-3-9-7-11(17)5-6-12(9)14(10)16(15)20-2/h5-8,17-18H,3-4H2,1-2H3
InChIKeyNWPBSPADEDDKAO-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.88
Rot. Bonds2

About 3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol

3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol (PubChem CID 10401022) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol.

Molecular Properties

Compound Name3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol
PubChem CID10401022
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol
SMILESCOc1c(O)cc2c(c1OC)-c1ccc(O)cc1CC2
InChIInChI=1S/C16H16O4/c1-19-15-13(18)8-10-4-3-9-7-11(17)5-6-12(9)14(10)16(15)20-2/h5-8,17-18H,3-4H2,1-2H3
InChIKeyNWPBSPADEDDKAO-UHFFFAOYSA-N
XLogP2.88
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol 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 3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol?
The IUPAC name of 3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol (CID 10401022) is 3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol.
What is the SMILES notation for 3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol?
The canonical SMILES for 3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol is COc1c(O)cc2c(c1OC)-c1ccc(O)cc1CC2.
What is the InChIKey of 3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol?
The InChIKey is NWPBSPADEDDKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-15-13(18)8-10-4-3-9-7-11(17)5-6-12(9)14(10)16(15)20-2/h5-8,17-18H,3-4H2,1-2H3.
What are the key properties of 3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol?
3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol has a molecular weight of 272.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-9,10-dihydrophenanthrene-2,7-diol is sourced from PubChem (CID 10401022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).