8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol

C30H24O6 — CID 162868952

IUPAC8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol
SMILESCOc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1ccc1cc(O)ccc13)CCc1cc(O)ccc1-2
InChIInChI=1S/C30H24O6/c1-35-25-13-23(33)27-19-9-5-17(31)11-15(19)3-7-21(27)29(25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)24(34)14-26(30)36-2/h3,5-7,9-14,31-34H,4,8H2,1-2H3
InChIKeyWAGHNVSMIQWJHO-UHFFFAOYSA-N
MW480.52 g/mol
LogP6.27
Rot. Bonds3

About 8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol

8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol (PubChem CID 162868952) has the molecular formula C30H24O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is 8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol.

Molecular Properties

Compound Name8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol
PubChem CID162868952
Molecular FormulaC30H24O6
Molecular Weight480.52 g/mol
Exact Mass480.16
IUPAC Name8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol
SMILESCOc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1ccc1cc(O)ccc13)CCc1cc(O)ccc1-2
InChIInChI=1S/C30H24O6/c1-35-25-13-23(33)27-19-9-5-17(31)11-15(19)3-7-21(27)29(25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)24(34)14-26(30)36-2/h3,5-7,9-14,31-34H,4,8H2,1-2H3
InChIKeyWAGHNVSMIQWJHO-UHFFFAOYSA-N
XLogP6.27
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.52
LogP ≤ 56.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-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 8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol?
The IUPAC name of 8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol (CID 162868952) is 8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol.
What is the SMILES notation for 8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol?
The canonical SMILES for 8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol is COc1cc(O)c2c(c1-c1c(OC)cc(O)c3c1ccc1cc(O)ccc13)CCc1cc(O)ccc1-2.
What is the InChIKey of 8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol?
The InChIKey is WAGHNVSMIQWJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O6/c1-35-25-13-23(33)27-19-9-5-17(31)11-15(19)3-7-21(27)29(25)30-22-8-4-16-12-18(32)6-10-20(16)28(22)24(34)14-26(30)36-2/h3,5-7,9-14,31-34H,4,8H2,1-2H3.
What are the key properties of 8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol?
8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol has a molecular weight of 480.52 g/mol, XLogP of 6.27, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,7-dihydroxy-2-methoxy-9,10-dihydrophenanthren-1-yl)-7-methoxyphenanthrene-2,5-diol is sourced from PubChem (CID 162868952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).