7-benzhydryloxy-4-methylchromen-2-one

C23H18O3 — CID 59603173

IUPAC7-benzhydryloxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OC(c3ccccc3)c3ccccc3)ccc12
InChIInChI=1S/C23H18O3/c1-16-14-22(24)26-21-15-19(12-13-20(16)21)25-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,1H3
InChIKeySWEQTZDMGFQNGN-UHFFFAOYSA-N
MW342.39 g/mol
LogP5.27
Rot. Bonds4

About 7-benzhydryloxy-4-methylchromen-2-one

7-benzhydryloxy-4-methylchromen-2-one (PubChem CID 59603173) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 7-benzhydryloxy-4-methylchromen-2-one.

Molecular Properties

Compound Name7-benzhydryloxy-4-methylchromen-2-one
PubChem CID59603173
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name7-benzhydryloxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(OC(c3ccccc3)c3ccccc3)ccc12
InChIInChI=1S/C23H18O3/c1-16-14-22(24)26-21-15-19(12-13-20(16)21)25-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,1H3
InChIKeySWEQTZDMGFQNGN-UHFFFAOYSA-N
XLogP5.27
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.39
LogP ≤ 55.27
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

(2R)-2-(4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetic acid
CID 855004
7-(2-fluoro-1-phenylethoxy)-4-methylchromen-2-one
CID 164804491
4-methyl-7-(2-oxo-1,2-diphenylethoxy)chromen-2-one
CID 2955979
(4-methyl-2-oxochromen-7-yl) 2,2-diphenylacetate
CID 983535
2-(4-methyl-2-oxochromen-7-yl)oxypropanoic acid
CID 2787139
4-methyl-7-[(2R)-1-oxo-1-phenylbutan-2-yl]oxychromen-2-one
CID 907685
2-(4-methyl-2-oxochromen-7-yl)oxybutanoic acid
CID 5006942
(2R)-2-(4-methyl-2-oxochromen-7-yl)oxypropanenitrile
CID 7967887
7-but-3-yn-2-yloxy-4-methylchromen-2-one
CID 100933119
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
2-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 3782124
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527

Frequently Asked Questions

What is the IUPAC name of 7-benzhydryloxy-4-methylchromen-2-one?
The IUPAC name of 7-benzhydryloxy-4-methylchromen-2-one (CID 59603173) is 7-benzhydryloxy-4-methylchromen-2-one.
What is the SMILES notation for 7-benzhydryloxy-4-methylchromen-2-one?
The canonical SMILES for 7-benzhydryloxy-4-methylchromen-2-one is Cc1cc(=O)oc2cc(OC(c3ccccc3)c3ccccc3)ccc12.
What is the InChIKey of 7-benzhydryloxy-4-methylchromen-2-one?
The InChIKey is SWEQTZDMGFQNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-16-14-22(24)26-21-15-19(12-13-20(16)21)25-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,23H,1H3.
What are the key properties of 7-benzhydryloxy-4-methylchromen-2-one?
7-benzhydryloxy-4-methylchromen-2-one has a molecular weight of 342.39 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzhydryloxy-4-methylchromen-2-one is sourced from PubChem (CID 59603173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).