1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one

C16H15ClO3 — CID 54314216

IUPAC1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(O)(CO)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO3/c1-11-2-6-13(7-3-11)16(20,10-18)15(19)12-4-8-14(17)9-5-12/h2-9,18,20H,10H2,1H3
InChIKeyMFEPZPJEKQRLOE-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.71
Rot. Bonds4

About 1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one

1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one (PubChem CID 54314216) has the molecular formula C16H15ClO3 and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one
PubChem CID54314216
Molecular FormulaC16H15ClO3
Molecular Weight290.75 g/mol
Exact Mass290.07
IUPAC Name1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(O)(CO)C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H15ClO3/c1-11-2-6-13(7-3-11)16(20,10-18)15(19)12-4-8-14(17)9-5-12/h2-9,18,20H,10H2,1H3
InChIKeyMFEPZPJEKQRLOE-UHFFFAOYSA-N
XLogP2.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-bis(4-chlorophenyl)-2-hydroxyhexane-1,5-dione
CID 10594061
ethyl 4,5-bis(4-chlorophenyl)-4-hydroxy-5-oxopentanoate
CID 10667517
N-(4-chlorobenzoyl)-4-methylbenzamide
CID 122212331
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
(2S)-1,2-bis(4-chlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-1-one
CID 11233774
N'-[2-(4-chlorophenyl)acetyl]-4-methylbenzohydrazide
CID 4936719
1-(4-chlorophenyl)-2-methyl-2-phenylpropan-1-one
CID 43160394
(3S)-2,3-dihydroxy-2,3-bis(4-methylbenzoyl)butanedioic acid
CID 175569643
N-[1-chloro-2-(4-chlorophenyl)-2-oxoethyl]-4-methylbenzamide
CID 23583750
ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate
CID 85373846
2-chloro-2,2-difluoro-1-(4-methylphenyl)ethanone
CID 13240543
bis(2,3-dihydroxy-2,3-bis(4-methylbenzoyl)butanedioic acid);hydrate
CID 67109650

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one (CID 54314216) is 1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one is Cc1ccc(C(O)(CO)C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one?
The InChIKey is MFEPZPJEKQRLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO3/c1-11-2-6-13(7-3-11)16(20,10-18)15(19)12-4-8-14(17)9-5-12/h2-9,18,20H,10H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one?
1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one has a molecular weight of 290.75 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,3-dihydroxy-2-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 54314216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).