3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one

C17H16Cl2O2 — CID 3059017

IUPAC3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one
SMILESCC(C)(C(=O)c1ccccc1)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2O2/c1-17(2,15(20)11-6-4-3-5-7-11)16(21)13-9-8-12(18)10-14(13)19/h3-10,16,21H,1-2H3
InChIKeyANWJELNIJWTBOC-UHFFFAOYSA-N
MW323.22 g/mol
LogP4.94
Rot. Bonds4

About 3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one

3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one (PubChem CID 3059017) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one
PubChem CID3059017
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one
SMILESCC(C)(C(=O)c1ccccc1)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H16Cl2O2/c1-17(2,15(20)11-6-4-3-5-7-11)16(21)13-9-8-12(18)10-14(13)19/h3-10,16,21H,1-2H3
InChIKeyANWJELNIJWTBOC-UHFFFAOYSA-N
XLogP4.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24896595
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CID 219286
4-Chlorobenzoin
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2-[(4-Chlorophenyl)(hydroxy)methyl]naphthalene-1,4-dione
CID 245919
2-[(4-Chloro-2-methylphenyl)-hydroxymethyl]naphthalene-1,4-dione
CID 71654509
2-[(2-Chlorophenyl)-hydroxymethyl]pent-1-en-3-one
CID 11957929
[(3E)-3-[(2,4-dichlorophenyl)methylidene]-2-hydroxycyclohexen-1-yl]-phenylmethanone
CID 127049667
4'-Chloro-alpha,alpha-difluoro-beta-hydroxy-beta-phenylpropiophenone
CID 10979379
3-Buten-2-one, 3-[(4-chlorophenyl)hydroxymethyl]-
CID 11790495
3,5-Dichloro-4-(4-chlorobenzoyl)benzyl alcohol
CID 2817766
3-Hydroxy-2,2-dimethyl-1,3-diphenylpropan-1-one
CID 3059013
1-Propanone, 3-(4-chlorophenyl)-2,2-dimethyl-3-hydroxy-1-phenyl-
CID 3059014

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one?
The IUPAC name of 3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one (CID 3059017) is 3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one?
The canonical SMILES for 3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one is CC(C)(C(=O)c1ccccc1)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one?
The InChIKey is ANWJELNIJWTBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c1-17(2,15(20)11-6-4-3-5-7-11)16(21)13-9-8-12(18)10-14(13)19/h3-10,16,21H,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one?
3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one has a molecular weight of 323.22 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-3-hydroxy-2,2-dimethyl-1-phenylpropan-1-one is sourced from PubChem (CID 3059017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).