3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one

C20H19ClO3 — CID 11660182

IUPAC3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one
SMILESCCC(CC)c1oc2cc(O)ccc2c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClO3/c1-3-12(4-2)20-18(13-5-7-14(21)8-6-13)19(23)16-10-9-15(22)11-17(16)24-20/h5-12,22H,3-4H2,1-2H3
InChIKeyCFFJTCVGAPIQBM-UHFFFAOYSA-N
MW342.82 g/mol
LogP5.72
Rot. Bonds4

About 3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one

3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one (PubChem CID 11660182) has the molecular formula C20H19ClO3 and a molecular weight of 342.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one
PubChem CID11660182
Molecular FormulaC20H19ClO3
Molecular Weight342.82 g/mol
Exact Mass342.10
IUPAC Name3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one
SMILESCCC(CC)c1oc2cc(O)ccc2c(=O)c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H19ClO3/c1-3-12(4-2)20-18(13-5-7-14(21)8-6-13)19(23)16-10-9-15(22)11-17(16)24-20/h5-12,22H,3-4H2,1-2H3
InChIKeyCFFJTCVGAPIQBM-UHFFFAOYSA-N
XLogP5.72
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.82
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-3-(4-chlorophenyl)-7-hydroxychromen-4-one
CID 175439697
ethyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromene-2-carboxylate
CID 15486887
N-[3-(4-chlorophenyl)-4-oxo-2-propan-2-ylchromen-7-yl]-2-methylpropanamide
CID 59724302
[3-(4-chlorophenyl)-4-oxo-2-propan-2-ylchromen-7-yl] trifluoromethanesulfonate
CID 86625612
4-[2-(1,1-difluoropropyl)-7-hydroxy-4-oxochromen-3-yl]benzoic acid
CID 53357241
3-(3-fluoro-4-methoxyphenyl)-7-hydroxy-2-propan-2-ylchromen-4-one
CID 59724295
7-hydroxy-3-naphthalen-2-yl-2-propylchromen-4-one
CID 86168453
7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
CID 10221024
4-chlorobenzenesulfonic acid;4-ethyl-7-hydroxychromen-2-one
CID 88725948
3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane
CID 157253645
3-(3-ethoxy-4-hydroxyphenyl)-7-hydroxy-2-(trifluoromethyl)chromen-4-one
CID 86714338
ethyl 2-[2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxypropanoate
CID 4112757

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one?
The IUPAC name of 3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one (CID 11660182) is 3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one is CCC(CC)c1oc2cc(O)ccc2c(=O)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one?
The InChIKey is CFFJTCVGAPIQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClO3/c1-3-12(4-2)20-18(13-5-7-14(21)8-6-13)19(23)16-10-9-15(22)11-17(16)24-20/h5-12,22H,3-4H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one?
3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one has a molecular weight of 342.82 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-hydroxy-2-pentan-3-ylchromen-4-one is sourced from PubChem (CID 11660182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).