9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol

C32H32O6 — CID 10625573

IUPAC9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol
SMILESCOc1cc(C2(O)c3ccccc3-c3ccccc3C2(O)c2cc(OC)c(C)cc2OC)c(OC)cc1C
InChIInChI=1S/C32H32O6/c1-19-15-29(37-5)25(17-27(19)35-3)31(33)23-13-9-7-11-21(23)22-12-8-10-14-24(22)32(31,34)26-18-28(36-4)20(2)16-30(26)38-6/h7-18,33-34H,1-6H3
InChIKeyBPLXVYUXKKDPRL-UHFFFAOYSA-N
MW512.60 g/mol
LogP5.49
Rot. Bonds6

About 9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol

9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol (PubChem CID 10625573) has the molecular formula C32H32O6 and a molecular weight of 512.60 g/mol. Its IUPAC name is 9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol.

Molecular Properties

Compound Name9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol
PubChem CID10625573
Molecular FormulaC32H32O6
Molecular Weight512.60 g/mol
Exact Mass512.22
IUPAC Name9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol
SMILESCOc1cc(C2(O)c3ccccc3-c3ccccc3C2(O)c2cc(OC)c(C)cc2OC)c(OC)cc1C
InChIInChI=1S/C32H32O6/c1-19-15-29(37-5)25(17-27(19)35-3)31(33)23-13-9-7-11-21(23)22-12-8-10-14-24(22)32(31,34)26-18-28(36-4)20(2)16-30(26)38-6/h7-18,33-34H,1-6H3
InChIKeyBPLXVYUXKKDPRL-UHFFFAOYSA-N
XLogP5.49
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.60
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol?
The IUPAC name of 9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol (CID 10625573) is 9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol.
What is the SMILES notation for 9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol?
The canonical SMILES for 9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol is COc1cc(C2(O)c3ccccc3-c3ccccc3C2(O)c2cc(OC)c(C)cc2OC)c(OC)cc1C.
What is the InChIKey of 9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol?
The InChIKey is BPLXVYUXKKDPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O6/c1-19-15-29(37-5)25(17-27(19)35-3)31(33)23-13-9-7-11-21(23)22-12-8-10-14-24(22)32(31,34)26-18-28(36-4)20(2)16-30(26)38-6/h7-18,33-34H,1-6H3.
What are the key properties of 9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol?
9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol has a molecular weight of 512.60 g/mol, XLogP of 5.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(2,5-dimethoxy-4-methylphenyl)phenanthrene-9,10-diol is sourced from PubChem (CID 10625573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).