2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one

C19H15ClO3 — CID 10871114

IUPAC2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one
SMILESC=CCc1cccc2c(=O)c(OC)c(-c3ccc(Cl)cc3)oc12
InChIInChI=1S/C19H15ClO3/c1-3-5-12-6-4-7-15-16(21)19(22-2)18(23-17(12)15)13-8-10-14(20)11-9-13/h3-4,6-11H,1,5H2,2H3
InChIKeyAHYUJABJKCFQOL-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.85
Rot. Bonds4

About 2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one

2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one (PubChem CID 10871114) has the molecular formula C19H15ClO3 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one
PubChem CID10871114
Molecular FormulaC19H15ClO3
Molecular Weight326.78 g/mol
Exact Mass326.07
IUPAC Name2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one
SMILESC=CCc1cccc2c(=O)c(OC)c(-c3ccc(Cl)cc3)oc12
InChIInChI=1S/C19H15ClO3/c1-3-5-12-6-4-7-15-16(21)19(22-2)18(23-17(12)15)13-8-10-14(20)11-9-13/h3-4,6-11H,1,5H2,2H3
InChIKeyAHYUJABJKCFQOL-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-2-(4-methylphenyl)-8-prop-2-enylchromen-4-one
CID 10957288
4-prop-2-enylxanthen-9-one
CID 19102968
3,4-dimethyl-5-prop-2-enylxanthen-9-one
CID 59287844
4-prop-2-enyl-1,3-benzodioxol-2-one
CID 140551297
2-(4-fluoro-3-methoxyphenyl)-3-methoxybenzo[h]chromen-4-one
CID 73349189
3-methoxy-2-(4-methylphenyl)chromen-4-one
CID 139049420
1,3-dihydroxy-5-methoxy-4-prop-2-enylxanthen-9-one
CID 20824988
8-(chloromethyl)-3-methyl-2-phenylchromen-4-one
CID 19972408
2-phenyl-3,5-bis(prop-2-enyl)chromen-4-one
CID 141233837
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615
2-(4-bromophenyl)-5,7-dihydroxy-3-methoxy-8-(3-methylbut-2-enyl)chromen-4-one
CID 71660987
2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
CID 143927425

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one (CID 10871114) is 2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one is C=CCc1cccc2c(=O)c(OC)c(-c3ccc(Cl)cc3)oc12.
What is the InChIKey of 2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one?
The InChIKey is AHYUJABJKCFQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO3/c1-3-5-12-6-4-7-15-16(21)19(22-2)18(23-17(12)15)13-8-10-14(20)11-9-13/h3-4,6-11H,1,5H2,2H3.
What are the key properties of 2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one?
2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-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 2-(4-chlorophenyl)-3-methoxy-8-prop-2-enylchromen-4-one is sourced from PubChem (CID 10871114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).