8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol

C30H24O6 — CID 102026934

IUPAC8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol
SMILESCOc1cc(-c2cc(OC)c(O)c3c2ccc2cc(O)ccc23)c2c(c1O)-c1ccc(O)cc1CC2
InChIInChI=1S/C30H24O6/c1-35-25-13-23(21-7-3-15-11-17(31)5-9-19(15)27(21)29(25)33)24-14-26(36-2)30(34)28-20-10-6-18(32)12-16(20)4-8-22(24)28/h3,5-7,9-14,31-34H,4,8H2,1-2H3
InChIKeyOICWLBYGEMOZNV-UHFFFAOYSA-N
MW480.52 g/mol
LogP6.27
Rot. Bonds3

About 8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol

8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol (PubChem CID 102026934) has the molecular formula C30H24O6 and a molecular weight of 480.52 g/mol. Its IUPAC name is 8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol.

Molecular Properties

Compound Name8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol
PubChem CID102026934
Molecular FormulaC30H24O6
Molecular Weight480.52 g/mol
Exact Mass480.16
IUPAC Name8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol
SMILESCOc1cc(-c2cc(OC)c(O)c3c2ccc2cc(O)ccc23)c2c(c1O)-c1ccc(O)cc1CC2
InChIInChI=1S/C30H24O6/c1-35-25-13-23(21-7-3-15-11-17(31)5-9-19(15)27(21)29(25)33)24-14-26(36-2)30(34)28-20-10-6-18(32)12-16(20)4-8-22(24)28/h3,5-7,9-14,31-34H,4,8H2,1-2H3
InChIKeyOICWLBYGEMOZNV-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'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol?
The IUPAC name of 8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol (CID 102026934) is 8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol.
What is the SMILES notation for 8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol?
The canonical SMILES for 8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol is COc1cc(-c2cc(OC)c(O)c3c2ccc2cc(O)ccc23)c2c(c1O)-c1ccc(O)cc1CC2.
What is the InChIKey of 8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol?
The InChIKey is OICWLBYGEMOZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O6/c1-35-25-13-23(21-7-3-15-11-17(31)5-9-19(15)27(21)29(25)33)24-14-26(36-2)30(34)28-20-10-6-18(32)12-16(20)4-8-22(24)28/h3,5-7,9-14,31-34H,4,8H2,1-2H3.
What are the key properties of 8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol?
8-(4,7-dihydroxy-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-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-3-methoxy-9,10-dihydrophenanthren-1-yl)-6-methoxyphenanthrene-2,5-diol is sourced from PubChem (CID 102026934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).