3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one

C18H15ClO4 — CID 46218586

IUPAC3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1cccc2c1OCC(CC(=O)c1ccc(Cl)cc1)C2=O
InChIInChI=1S/C18H15ClO4/c1-22-16-4-2-3-14-17(21)12(10-23-18(14)16)9-15(20)11-5-7-13(19)8-6-11/h2-8,12H,9-10H2,1H3
InChIKeyJLPDHCYJFFISAO-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.81
Rot. Bonds4

About 3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one

3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one (PubChem CID 46218586) has the molecular formula C18H15ClO4 and a molecular weight of 330.77 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one
PubChem CID46218586
Molecular FormulaC18H15ClO4
Molecular Weight330.77 g/mol
Exact Mass330.07
IUPAC Name3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1cccc2c1OCC(CC(=O)c1ccc(Cl)cc1)C2=O
InChIInChI=1S/C18H15ClO4/c1-22-16-4-2-3-14-17(21)12(10-23-18(14)16)9-15(20)11-5-7-13(19)8-6-11/h2-8,12H,9-10H2,1H3
InChIKeyJLPDHCYJFFISAO-UHFFFAOYSA-N
XLogP3.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(8-methoxy-4-oxo-2,3-dihydrochromen-3-yl)acetate
CID 10922937
3,8-dimethoxy-2,3-dihydrochromen-4-one
CID 130039338
3-[2-(4-chlorophenyl)-2-oxoethyl]-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 2837120
9-methoxy-4-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1-benzoxepin-5-one
CID 82250923
2-[(3R)-4-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129462509
(3R)-3-hydroxy-8,16-dimethoxy-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-one
CID 134962846
8-methoxy-1,3-benzodioxin-4-one
CID 141355094
2-(7-methoxy-3-oxo-1,2-dihydroinden-2-yl)acetaldehyde
CID 10632007
methyl 7-methoxy-3-oxo-1-benzofuran-2-carboxylate
CID 22435586
8-methoxy-3-methylidenechromen-4-one
CID 82277876
1-(4-chlorobenzoyl)-8-methoxy-2,3-dihydroquinolin-4-one
CID 110635358
(3R)-3-(butylaminomethyl)-8-chloro-2,3-dihydrochromen-4-one
CID 97355760

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one (CID 46218586) is 3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one is COc1cccc2c1OCC(CC(=O)c1ccc(Cl)cc1)C2=O.
What is the InChIKey of 3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is JLPDHCYJFFISAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO4/c1-22-16-4-2-3-14-17(21)12(10-23-18(14)16)9-15(20)11-5-7-13(19)8-6-11/h2-8,12H,9-10H2,1H3.
What are the key properties of 3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one?
3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 330.77 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)-2-oxoethyl]-8-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 46218586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).