7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one

C19H15ClO3 — CID 88863475

IUPAC7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one
SMILESC=C(COc1ccc2c(C)cc(=O)oc2c1)c1cccc(Cl)c1
InChIInChI=1S/C19H15ClO3/c1-12-8-19(21)23-18-10-16(6-7-17(12)18)22-11-13(2)14-4-3-5-15(20)9-14/h3-10H,2,11H2,1H3
InChIKeyGOBDCXYXEQNABM-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.85
Rot. Bonds4

About 7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one

7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one (PubChem CID 88863475) has the molecular formula C19H15ClO3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one
PubChem CID88863475
Molecular FormulaC19H15ClO3
Molecular Weight326.78 g/mol
Exact Mass326.07
IUPAC Name7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one
SMILESC=C(COc1ccc2c(C)cc(=O)oc2c1)c1cccc(Cl)c1
InChIInChI=1S/C19H15ClO3/c1-12-8-19(21)23-18-10-16(6-7-17(12)18)22-11-13(2)14-4-3-5-15(20)9-14/h3-10H,2,11H2,1H3
InChIKeyGOBDCXYXEQNABM-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
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

2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 4616193
(2,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 8778362
[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844029
(4-methyl-2-oxochromen-7-yl) 2-(4-chlorophenoxy)acetate
CID 728525
4-methyl-7-(2-oxobutoxy)chromen-2-one
CID 62038518
(3,4-dichlorophenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 1112325
4-methyl-7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 882295
N-(2-chlorophenyl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 728654
1-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 3864761
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 2098370
7-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methylchromen-2-one
CID 788625
(2,6-dimethoxyphenyl) 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7934790

Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one (CID 88863475) is 7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one is C=C(COc1ccc2c(C)cc(=O)oc2c1)c1cccc(Cl)c1.
What is the InChIKey of 7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one?
The InChIKey is GOBDCXYXEQNABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO3/c1-12-8-19(21)23-18-10-16(6-7-17(12)18)22-11-13(2)14-4-3-5-15(20)9-14/h3-10H,2,11H2,1H3.
What are the key properties of 7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one?
7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one has a molecular weight of 326.78 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-chlorophenyl)prop-2-enoxy]-4-methylchromen-2-one is sourced from PubChem (CID 88863475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).