3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one

C38H32O6 — CID 118886915

IUPAC3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one
SMILESCc1cc(OCc2ccccc2)c2c(=O)c(O)c(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3C)oc2c1
InChIInChI=1S/C38H32O6/c1-25-20-32(42-23-28-14-8-4-9-15-28)34-33(21-25)44-38(36(40)35(34)39)30-18-19-31(41-22-27-12-6-3-7-13-27)37(26(30)2)43-24-29-16-10-5-11-17-29/h3-21,40H,22-24H2,1-2H3
InChIKeyQTGMWEHHMQQRGC-UHFFFAOYSA-N
MW584.67 g/mol
LogP8.52
Rot. Bonds10

About 3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one

3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one (PubChem CID 118886915) has the molecular formula C38H32O6 and a molecular weight of 584.67 g/mol. Its IUPAC name is 3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one
PubChem CID118886915
Molecular FormulaC38H32O6
Molecular Weight584.67 g/mol
Exact Mass584.22
IUPAC Name3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one
SMILESCc1cc(OCc2ccccc2)c2c(=O)c(O)c(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3C)oc2c1
InChIInChI=1S/C38H32O6/c1-25-20-32(42-23-28-14-8-4-9-15-28)34-33(21-25)44-38(36(40)35(34)39)30-18-19-31(41-22-27-12-6-3-7-13-27)37(26(30)2)43-24-29-16-10-5-11-17-29/h3-21,40H,22-24H2,1-2H3
InChIKeyQTGMWEHHMQQRGC-UHFFFAOYSA-N
XLogP8.52
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.67
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one 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-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one?
The IUPAC name of 3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one (CID 118886915) is 3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one.
What is the SMILES notation for 3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one?
The canonical SMILES for 3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one is Cc1cc(OCc2ccccc2)c2c(=O)c(O)c(-c3ccc(OCc4ccccc4)c(OCc4ccccc4)c3C)oc2c1.
What is the InChIKey of 3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one?
The InChIKey is QTGMWEHHMQQRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32O6/c1-25-20-32(42-23-28-14-8-4-9-15-28)34-33(21-25)44-38(36(40)35(34)39)30-18-19-31(41-22-27-12-6-3-7-13-27)37(26(30)2)43-24-29-16-10-5-11-17-29/h3-21,40H,22-24H2,1-2H3.
What are the key properties of 3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one?
3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one has a molecular weight of 584.67 g/mol, XLogP of 8.52, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-7-methyl-2-[2-methyl-3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxychromen-4-one is sourced from PubChem (CID 118886915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).