2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one

C16H13ClO3 — CID 57418583

IUPAC2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C16H13ClO3/c1-19-12-6-7-15-13(8-12)14(18)9-16(20-15)10-2-4-11(17)5-3-10/h2-8,16H,9H2,1H3
InChIKeyJFHXNCOKOJEZLG-UHFFFAOYSA-N
MW288.73 g/mol
LogP4.06
Rot. Bonds2

About 2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one

2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one (PubChem CID 57418583) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
PubChem CID57418583
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1ccc2c(c1)C(=O)CC(c1ccc(Cl)cc1)O2
InChIInChI=1S/C16H13ClO3/c1-19-12-6-7-15-13(8-12)14(18)9-16(20-15)10-2-4-11(17)5-3-10/h2-8,16H,9H2,1H3
InChIKeyJFHXNCOKOJEZLG-UHFFFAOYSA-N
XLogP4.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one (CID 57418583) is 2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one is COc1ccc2c(c1)C(=O)CC(c1ccc(Cl)cc1)O2.
What is the InChIKey of 2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is JFHXNCOKOJEZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c1-19-12-6-7-15-13(8-12)14(18)9-16(20-15)10-2-4-11(17)5-3-10/h2-8,16H,9H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one?
2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 288.73 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 57418583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).