8-methoxy-3-phenylchromen-2-one

C16H12O3 — CID 2195449

IUPAC8-methoxy-3-phenylchromen-2-one
SMILESCOc1cccc2cc(-c3ccccc3)c(=O)oc12
InChIInChI=1S/C16H12O3/c1-18-14-9-5-8-12-10-13(16(17)19-15(12)14)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyDPBUTRVKKSUGHH-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.47
Rot. Bonds2

About 8-methoxy-3-phenylchromen-2-one

8-methoxy-3-phenylchromen-2-one (PubChem CID 2195449) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 8-methoxy-3-phenylchromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-phenylchromen-2-one
PubChem CID2195449
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name8-methoxy-3-phenylchromen-2-one
SMILESCOc1cccc2cc(-c3ccccc3)c(=O)oc12
InChIInChI=1S/C16H12O3/c1-18-14-9-5-8-12-10-13(16(17)19-15(12)14)11-6-3-2-4-7-11/h2-10H,1H3
InChIKeyDPBUTRVKKSUGHH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-8-methoxychromen-2-one
CID 21239652
3-(hydroxymethyl)-8-methoxychromen-2-one
CID 21128834
5,7,8-trimethoxy-3-phenylchromen-2-one
CID 134912099
8-methoxy-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]chromen-2-one
CID 60615748
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-8-methoxychromen-2-one
CID 1119347
3-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-8-methoxychromen-2-one
CID 20904244
8-methoxy-3-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]chromen-2-one
CID 29126866
2-(2-oxo-3-phenylchromen-8-yl)acetic acid
CID 10107691
8-methoxy-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)chromen-2-one
CID 3239008
3-[4-[2-(4-hydroxypiperidin-1-yl)-2-oxoethoxy]phenyl]-8-methoxychromen-2-one
CID 42570146
8-methoxy-3-[4-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-6-phenyl-2-pyridinyl]chromen-2-one
CID 46873264
6-bromo-3-(4-fluorophenyl)-8-methoxychromen-2-one
CID 118723876

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-phenylchromen-2-one?
The IUPAC name of 8-methoxy-3-phenylchromen-2-one (CID 2195449) is 8-methoxy-3-phenylchromen-2-one.
What is the SMILES notation for 8-methoxy-3-phenylchromen-2-one?
The canonical SMILES for 8-methoxy-3-phenylchromen-2-one is COc1cccc2cc(-c3ccccc3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-phenylchromen-2-one?
The InChIKey is DPBUTRVKKSUGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-18-14-9-5-8-12-10-13(16(17)19-15(12)14)11-6-3-2-4-7-11/h2-10H,1H3.
What are the key properties of 8-methoxy-3-phenylchromen-2-one?
8-methoxy-3-phenylchromen-2-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 8-methoxy-3-phenylchromen-2-one is sourced from PubChem (CID 2195449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).