3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one

C29H23NO4S — CID 11179136

IUPAC3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one
SMILESCOc1ccc(-c2c(SCc3ccncc3)oc3cc(OCc4ccccc4)ccc3c2=O)cc1
InChIInChI=1S/C29H23NO4S/c1-32-23-9-7-22(8-10-23)27-28(31)25-12-11-24(33-18-20-5-3-2-4-6-20)17-26(25)34-29(27)35-19-21-13-15-30-16-14-21/h2-17H,18-19H2,1H3
InChIKeyRLOJJLAHGWEVQX-UHFFFAOYSA-N
MW481.57 g/mol
LogP6.73
Rot. Bonds8

About 3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one

3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one (PubChem CID 11179136) has the molecular formula C29H23NO4S and a molecular weight of 481.57 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one
PubChem CID11179136
Molecular FormulaC29H23NO4S
Molecular Weight481.57 g/mol
Exact Mass481.13
IUPAC Name3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one
SMILESCOc1ccc(-c2c(SCc3ccncc3)oc3cc(OCc4ccccc4)ccc3c2=O)cc1
InChIInChI=1S/C29H23NO4S/c1-32-23-9-7-22(8-10-23)27-28(31)25-12-11-24(33-18-20-5-3-2-4-6-20)17-26(25)34-29(27)35-19-21-13-15-30-16-14-21/h2-17H,18-19H2,1H3
InChIKeyRLOJJLAHGWEVQX-UHFFFAOYSA-N
XLogP6.73
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.57
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-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-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one?
The IUPAC name of 3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one (CID 11179136) is 3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one?
The canonical SMILES for 3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one is COc1ccc(-c2c(SCc3ccncc3)oc3cc(OCc4ccccc4)ccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one?
The InChIKey is RLOJJLAHGWEVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23NO4S/c1-32-23-9-7-22(8-10-23)27-28(31)25-12-11-24(33-18-20-5-3-2-4-6-20)17-26(25)34-29(27)35-19-21-13-15-30-16-14-21/h2-17H,18-19H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one?
3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one has a molecular weight of 481.57 g/mol, XLogP of 6.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-7-phenylmethoxy-2-(pyridin-4-ylmethylsulfanyl)chromen-4-one is sourced from PubChem (CID 11179136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).