3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

C22H20O4 — CID 11405317

IUPAC3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cccc(C2c3ccc(O)cc3OCC2c2cccc(O)c2)c1
InChIInChI=1S/C22H20O4/c1-25-18-7-3-5-15(11-18)22-19-9-8-17(24)12-21(19)26-13-20(22)14-4-2-6-16(23)10-14/h2-12,20,22-24H,13H2,1H3
InChIKeyRQXXIQGPZCPNBN-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.41
Rot. Bonds3

About 3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 11405317) has the molecular formula C22H20O4 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID11405317
Molecular FormulaC22H20O4
Molecular Weight348.40 g/mol
Exact Mass348.14
IUPAC Name3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1cccc(C2c3ccc(O)cc3OCC2c2cccc(O)c2)c1
InChIInChI=1S/C22H20O4/c1-25-18-7-3-5-15(11-18)22-19-9-8-17(24)12-21(19)26-13-20(22)14-4-2-6-16(23)10-14/h2-12,20,22-24H,13H2,1H3
InChIKeyRQXXIQGPZCPNBN-UHFFFAOYSA-N
XLogP4.41
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol 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-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 11405317) is 3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is COc1cccc(C2c3ccc(O)cc3OCC2c2cccc(O)c2)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is RQXXIQGPZCPNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O4/c1-25-18-7-3-5-15(11-18)22-19-9-8-17(24)12-21(19)26-13-20(22)14-4-2-6-16(23)10-14/h2-12,20,22-24H,13H2,1H3.
What are the key properties of 3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 348.40 g/mol, XLogP of 4.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 11405317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).