4-methyl-7-phenylmethoxychromen-2-one

C17H14O3 — CID 728520

IUPAC4-methyl-7-phenylmethoxychromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyRTORNQDWFDEDPT-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.68
Rot. Bonds3

About 4-methyl-7-phenylmethoxychromen-2-one

4-methyl-7-phenylmethoxychromen-2-one (PubChem CID 728520) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-methyl-7-phenylmethoxychromen-2-one.

Molecular Properties

Compound Name4-methyl-7-phenylmethoxychromen-2-one
PubChem CID728520
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name4-methyl-7-phenylmethoxychromen-2-one
SMILESCc1cc(=O)oc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyRTORNQDWFDEDPT-UHFFFAOYSA-N
XLogP3.68
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.68
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

7-[[4-[[benzyl(methyl)amino]methyl]phenyl]methoxy]-4-methylchromen-2-one;hydrochloride
CID 122180434
4-methyl-7-[(4-propan-2-ylphenyl)methoxy]chromen-2-one
CID 14798404
4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-(2-methylphenyl)benzamide
CID 2102682
[2-oxo-2-(2-phenylethylamino)ethyl] 4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzoate
CID 2095409
4-methyl-7-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]chromen-2-one
CID 164886608
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
N-(2,3-dimethylphenyl)-4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]benzamide
CID 7946928
(4-phenylphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7909541
2-(4-methyl-2-oxochromen-7-yl)oxy-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 7967936
7-[2-(4-benzylpiperidin-1-yl)ethoxy]-4-methylchromen-2-one
CID 134816331
7-benzhydryloxy-4-methylchromen-2-one
CID 59603173
2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-phenylmethoxychromen-2-one?
The IUPAC name of 4-methyl-7-phenylmethoxychromen-2-one (CID 728520) is 4-methyl-7-phenylmethoxychromen-2-one.
What is the SMILES notation for 4-methyl-7-phenylmethoxychromen-2-one?
The canonical SMILES for 4-methyl-7-phenylmethoxychromen-2-one is Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 4-methyl-7-phenylmethoxychromen-2-one?
The InChIKey is RTORNQDWFDEDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-12-9-17(18)20-16-10-14(7-8-15(12)16)19-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 4-methyl-7-phenylmethoxychromen-2-one?
4-methyl-7-phenylmethoxychromen-2-one has a molecular weight of 266.30 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-phenylmethoxychromen-2-one is sourced from PubChem (CID 728520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).