3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol

C16H16O4 — CID 14544210

IUPAC3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
SMILESCOc1ccc(C2COc3cc(O)cc(O)c3C2)cc1
InChIInChI=1S/C16H16O4/c1-19-13-4-2-10(3-5-13)11-6-14-15(18)7-12(17)8-16(14)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3
InChIKeyKAZJDGJRAHFSOL-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.83
Rot. Bonds2

About 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol

3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol (PubChem CID 14544210) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
PubChem CID14544210
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol
SMILESCOc1ccc(C2COc3cc(O)cc(O)c3C2)cc1
InChIInChI=1S/C16H16O4/c1-19-13-4-2-10(3-5-13)11-6-14-15(18)7-12(17)8-16(14)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3
InChIKeyKAZJDGJRAHFSOL-UHFFFAOYSA-N
XLogP2.83
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol 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)-3,4-dihydro-2H-chromene-5,7-diol?
The IUPAC name of 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol (CID 14544210) is 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol.
What is the SMILES notation for 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol?
The canonical SMILES for 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol is COc1ccc(C2COc3cc(O)cc(O)c3C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol?
The InChIKey is KAZJDGJRAHFSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-19-13-4-2-10(3-5-13)11-6-14-15(18)7-12(17)8-16(14)20-9-11/h2-5,7-8,11,17-18H,6,9H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol?
3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol has a molecular weight of 272.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-5,7-diol is sourced from PubChem (CID 14544210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).