1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one

C17H14Cl2O2 — CID 162252914

IUPAC1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one
SMILESC=C(O)c1ccccc1CC(=O)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H14Cl2O2/c1-11(20)17-5-3-2-4-13(17)9-16(21)8-12-6-14(18)10-15(19)7-12/h2-7,10,20H,1,8-9H2
InChIKeyGNBYTONCMQIMJH-UHFFFAOYSA-N
MW321.20 g/mol
LogP4.88
Rot. Bonds5

About 1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one

1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one (PubChem CID 162252914) has the molecular formula C17H14Cl2O2 and a molecular weight of 321.20 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one
PubChem CID162252914
Molecular FormulaC17H14Cl2O2
Molecular Weight321.20 g/mol
Exact Mass320.04
IUPAC Name1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one
SMILESC=C(O)c1ccccc1CC(=O)Cc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H14Cl2O2/c1-11(20)17-5-3-2-4-13(17)9-16(21)8-12-6-14(18)10-15(19)7-12/h2-7,10,20H,1,8-9H2
InChIKeyGNBYTONCMQIMJH-UHFFFAOYSA-N
XLogP4.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.20
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-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

1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one
CID 69337464
1,3-diphenyl(213C)propan-2-one
CID 100945080
3-(3,5-dichlorophenyl)-2-oxopropanoic acid
CID 60790009
1-(3,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62033281
2-[(3,5-dichlorophenyl)sulfanylmethyl]benzoic acid
CID 20993468
2-phenyl-1-(2,4,6-trichlorophenyl)ethanone
CID 105349057
1-[2-[(3,5-dichlorophenyl)sulfonylmethyl]-4-phenylphenyl]ethenol
CID 159695182
1-(2-propylphenyl)ethenol
CID 89240118
methyl 4-(3,5-dichlorophenyl)-3-oxobutanoate
CID 86725683
2-(1-hydroxyethenyl)benzoic acid
CID 157143248
1,3-bis(4-chlorophenyl)propan-2-one
CID 11097890
2-(2-oxobutyl)benzoic acid
CID 12758327

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one (CID 162252914) is 1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one is C=C(O)c1ccccc1CC(=O)Cc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one?
The InChIKey is GNBYTONCMQIMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2O2/c1-11(20)17-5-3-2-4-13(17)9-16(21)8-12-6-14(18)10-15(19)7-12/h2-7,10,20H,1,8-9H2.
What are the key properties of 1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one?
1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one has a molecular weight of 321.20 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-[2-(1-hydroxyethenyl)phenyl]propan-2-one is sourced from PubChem (CID 162252914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).