2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one

C15H12Cl2O2 — CID 82185150

IUPAC2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(Cl)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H12Cl2O2/c16-12-8-10(6-7-14(12)18)9-13(17)15(19)11-4-2-1-3-5-11/h1-8,13,18H,9H2
InChIKeyVQBKWODGKOHNCJ-UHFFFAOYSA-N
MW295.17 g/mol
LogP4.08
Rot. Bonds4

About 2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one

2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one (PubChem CID 82185150) has the molecular formula C15H12Cl2O2 and a molecular weight of 295.17 g/mol. Its IUPAC name is 2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one
PubChem CID82185150
Molecular FormulaC15H12Cl2O2
Molecular Weight295.17 g/mol
Exact Mass294.02
IUPAC Name2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one
SMILESO=C(c1ccccc1)C(Cl)Cc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H12Cl2O2/c16-12-8-10(6-7-14(12)18)9-13(17)15(19)11-4-2-1-3-5-11/h1-8,13,18H,9H2
InChIKeyVQBKWODGKOHNCJ-UHFFFAOYSA-N
XLogP4.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.17
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-(3-hydroxyphenyl)-1-phenylpropan-1-one
CID 88838543
2-chloro-3-(4-methylphenyl)-1-phenylpropan-1-one
CID 101382183
3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid
CID 83952263
3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952274
2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 82185120
2,4-dichloro-1-phenylbutan-1-one
CID 19063902
2-[(4-chlorophenyl)methyl]-1,3-diphenylpropane-1,3-dione
CID 102401186
2-chloro-4-[(1-phenylpropan-2-ylamino)methyl]phenol
CID 63010391
4-[[2-[benzyl(methyl)amino]ethyl-methylamino]methyl]-2-chlorophenol
CID 142099011
(2R)-2-chloro-2-fluoro-1-phenylethanone
CID 93494146
3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83952270
benzyl 3-chloro-4-hydroxybenzoate
CID 54290465

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one?
The IUPAC name of 2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one (CID 82185150) is 2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one.
What is the SMILES notation for 2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one?
The canonical SMILES for 2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one is O=C(c1ccccc1)C(Cl)Cc1ccc(O)c(Cl)c1.
What is the InChIKey of 2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one?
The InChIKey is VQBKWODGKOHNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2/c16-12-8-10(6-7-14(12)18)9-13(17)15(19)11-4-2-1-3-5-11/h1-8,13,18H,9H2.
What are the key properties of 2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one?
2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one has a molecular weight of 295.17 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one is sourced from PubChem (CID 82185150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).