2-(3-methoxyphenyl)chromen-4-one

C16H12O3 — CID 619834

IUPAC2-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C16H12O3/c1-18-12-6-4-5-11(9-12)16-10-14(17)13-7-2-3-8-15(13)19-16/h2-10H,1H3
InChIKeyKIEVPIBIYKKJRJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.47
Rot. Bonds2

About 2-(3-methoxyphenyl)chromen-4-one

2-(3-methoxyphenyl)chromen-4-one (PubChem CID 619834) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)chromen-4-one
PubChem CID619834
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2-(3-methoxyphenyl)chromen-4-one
SMILESCOc1cccc(-c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C16H12O3/c1-18-12-6-4-5-11(9-12)16-10-14(17)13-7-2-3-8-15(13)19-16/h2-10H,1H3
InChIKeyKIEVPIBIYKKJRJ-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)chromen-4-one?
The IUPAC name of 2-(3-methoxyphenyl)chromen-4-one (CID 619834) is 2-(3-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)chromen-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)chromen-4-one is COc1cccc(-c2cc(=O)c3ccccc3o2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)chromen-4-one?
The InChIKey is KIEVPIBIYKKJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-18-12-6-4-5-11(9-12)16-10-14(17)13-7-2-3-8-15(13)19-16/h2-10H,1H3.
What are the key properties of 2-(3-methoxyphenyl)chromen-4-one?
2-(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 2-(3-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 619834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).