1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone

C15H13ClO3 — CID 66701045

IUPAC1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Cl)c(O)cc2O)cc1
InChIInChI=1S/C15H13ClO3/c1-9-2-4-10(5-3-9)6-13(17)11-7-12(16)15(19)8-14(11)18/h2-5,7-8,18-19H,6H2,1H3
InChIKeyFOSRRKGKMWDIIA-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.49
Rot. Bonds3

About 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone

1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone (PubChem CID 66701045) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone
PubChem CID66701045
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2cc(Cl)c(O)cc2O)cc1
InChIInChI=1S/C15H13ClO3/c1-9-2-4-10(5-3-9)6-13(17)11-7-12(16)15(19)8-14(11)18/h2-5,7-8,18-19H,6H2,1H3
InChIKeyFOSRRKGKMWDIIA-UHFFFAOYSA-N
XLogP3.49
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1-[4-[(2,5-dichlorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
CID 91871409
1-(2-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 107988680
N-(4-chloro-3-hydroxyphenyl)-2-(4-methylphenyl)acetamide
CID 64787693
1-(3-chloro-5-methylphenyl)-2-(4-methylphenyl)ethanone
CID 81323175
1-(2-bromo-5-methylphenyl)-2-(4-chlorophenyl)ethanone
CID 81110989
1-(3-bromo-4-chlorophenyl)-2-(4-methylphenyl)ethanone
CID 115565903
1-[4-[(4-fluorophenyl)methoxy]-2-hydroxyphenyl]-2-(4-methylphenyl)ethanone
CID 91871423
1-(5-chloro-1H-indol-3-yl)-2-(4-methylphenyl)ethanone
CID 63878353
1-(5-chloro-2,4-dihydroxy-3-methylphenyl)-2-(4-methoxyphenyl)ethanone
CID 58913540
1-(2,4-difluorophenyl)-2-(4-methylphenyl)ethanone
CID 43337683
1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)ethanone
CID 155671740

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone (CID 66701045) is 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)c2cc(Cl)c(O)cc2O)cc1.
What is the InChIKey of 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone?
The InChIKey is FOSRRKGKMWDIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-9-2-4-10(5-3-9)6-13(17)11-7-12(16)15(19)8-14(11)18/h2-5,7-8,18-19H,6H2,1H3.
What are the key properties of 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone?
1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone has a molecular weight of 276.72 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 66701045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).