3-(3-methoxyphenyl)chromen-4-one

C16H12O3 — CID 24720233

IUPAC3-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2coc3ccccc3c2=O)c1
InChIInChI=1S/C16H12O3/c1-18-12-6-4-5-11(9-12)14-10-19-15-8-3-2-7-13(15)16(14)17/h2-10H,1H3
InChIKeyJAMOLNJIPWEGGF-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.47
Rot. Bonds2

About 3-(3-methoxyphenyl)chromen-4-one

3-(3-methoxyphenyl)chromen-4-one (PubChem CID 24720233) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)chromen-4-one
PubChem CID24720233
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name3-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2coc3ccccc3c2=O)c1
InChIInChI=1S/C16H12O3/c1-18-12-6-4-5-11(9-12)14-10-19-15-8-3-2-7-13(15)16(14)17/h2-10H,1H3
InChIKeyJAMOLNJIPWEGGF-UHFFFAOYSA-N
XLogP3.47
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Formononetin
CID 5280378
Ipriflavone
CID 3747
Flavanone
CID 10251
Biochanin A
CID 5280373
Flavone
CID 10680
Xanthone
CID 7020
Prunetin
CID 5281804
Isoflavone
CID 72304
6-Methoxyflavone
CID 147157
7-Hydroxyisoflavone
CID 5376891
Metochalcone
CID 6063342
4'-Methoxychalcone
CID 641818

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)chromen-4-one?
The IUPAC name of 3-(3-methoxyphenyl)chromen-4-one (CID 24720233) is 3-(3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 3-(3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 3-(3-methoxyphenyl)chromen-4-one is COc1cccc(-c2coc3ccccc3c2=O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)chromen-4-one?
The InChIKey is JAMOLNJIPWEGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-18-12-6-4-5-11(9-12)14-10-19-15-8-3-2-7-13(15)16(14)17/h2-10H,1H3.
What are the key properties of 3-(3-methoxyphenyl)chromen-4-one?
3-(3-methoxyphenyl)chromen-4-one has a molecular weight of 252.27 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 24720233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).