6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one

C19H15ClO3 — CID 1332729

IUPAC6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one
SMILESC=Cc1ccc(COc2cc3oc(=O)cc(C)c3cc2Cl)cc1
InChIInChI=1S/C19H15ClO3/c1-3-13-4-6-14(7-5-13)11-22-18-10-17-15(9-16(18)20)12(2)8-19(21)23-17/h3-10H,1,11H2,2H3
InChIKeyHKHKTXJKHCOEJX-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.98
Rot. Bonds4

About 6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one

6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one (PubChem CID 1332729) has the molecular formula C19H15ClO3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one
PubChem CID1332729
Molecular FormulaC19H15ClO3
Molecular Weight326.78 g/mol
Exact Mass326.07
IUPAC Name6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one
SMILESC=Cc1ccc(COc2cc3oc(=O)cc(C)c3cc2Cl)cc1
InChIInChI=1S/C19H15ClO3/c1-3-13-4-6-14(7-5-13)11-22-18-10-17-15(9-16(18)20)12(2)8-19(21)23-17/h3-10H,1,11H2,2H3
InChIKeyHKHKTXJKHCOEJX-UHFFFAOYSA-N
XLogP4.98
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.98
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

4-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]benzonitrile
CID 4825255
6-chloro-4-methyl-7-(1,2-thiazol-5-ylmethoxy)chromen-2-one
CID 166372173
methyl 5-[(6-chloro-4-methyl-2-oxochromen-7-yl)oxymethyl]furan-2-carboxylate
CID 5124704
6-chloro-7-[(4-chlorophenyl)methoxy]-4-ethylchromen-2-one
CID 23824130
6-chloro-4-methyl-7-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]chromen-2-one
CID 38896678
2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 782909
6-chloro-4-ethyl-7-phenylmethoxychromen-2-one
CID 886322
ethyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 782904
4-(6-chloro-4-methyl-2-oxochromen-7-yl)oxybutanoic acid
CID 20990338
7-[(4-ethenylphenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 883551
6-chloro-7-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]-4-methylchromen-2-one
CID 27015894
6-chloro-7-[(2-methoxy-5-nitrophenyl)methoxy]-4-methylchromen-2-one
CID 2913583

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one?
The IUPAC name of 6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one (CID 1332729) is 6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one.
What is the SMILES notation for 6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one?
The canonical SMILES for 6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one is C=Cc1ccc(COc2cc3oc(=O)cc(C)c3cc2Cl)cc1.
What is the InChIKey of 6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one?
The InChIKey is HKHKTXJKHCOEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO3/c1-3-13-4-6-14(7-5-13)11-22-18-10-17-15(9-16(18)20)12(2)8-19(21)23-17/h3-10H,1,11H2,2H3.
What are the key properties of 6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one?
6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one has a molecular weight of 326.78 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-[(4-ethenylphenyl)methoxy]-4-methylchromen-2-one is sourced from PubChem (CID 1332729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).