1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane

C16H13Cl3O — CID 159229035

IUPAC1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane
SMILESC=C(C(=O)c1ccccc1Cl)c1ccccc1.ClCCl
InChIInChI=1S/C15H11ClO.CH2Cl2/c1-11(12-7-3-2-4-8-12)15(17)13-9-5-6-10-14(13)16;2-1-3/h2-10H,1H2;1H2
InChIKeyKSQSFCPUBTXABK-UHFFFAOYSA-N
MW327.64 g/mol
LogP5.66
Rot. Bonds3

About 1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane

1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane (PubChem CID 159229035) has the molecular formula C16H13Cl3O and a molecular weight of 327.64 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane
PubChem CID159229035
Molecular FormulaC16H13Cl3O
Molecular Weight327.64 g/mol
Exact Mass326.00
IUPAC Name1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane
SMILESC=C(C(=O)c1ccccc1Cl)c1ccccc1.ClCCl
InChIInChI=1S/C15H11ClO.CH2Cl2/c1-11(12-7-3-2-4-8-12)15(17)13-9-5-6-10-14(13)16;2-1-3/h2-10H,1H2;1H2
InChIKeyKSQSFCPUBTXABK-UHFFFAOYSA-N
XLogP5.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.64
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(2-chlorophenyl)ethane-1,2-dione;1-(2,3-dichlorophenyl)-2-phenylethane-1,2-dione
CID 69255292
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
CID 159091938
CID 159091938
2-chloroethyl 2-phenylprop-2-enoate
CID 56997241
2-aminoethanol;2-chlorobenzoic acid
CID 86075909
ethane;2-phenylprop-2-enoic acid
CID 142472843
azane;3-chloroprop-1-ene;1,2-diphenylethane-1,2-dione
CID 70188941
1-ethyl-2-(3-phenylbuta-1,3-dien-2-yl)benzene
CID 22151876
3-(2-chlorophenyl)-3-phenylprop-2-enal
CID 71369713
2-(2-chlorophenyl)-2-oxo-N-phenylacetamide
CID 123578791
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
1-chloro-2-(1-chloroethenyl)benzene
CID 10942929

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane?
The IUPAC name of 1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane (CID 159229035) is 1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane.
What is the SMILES notation for 1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane?
The canonical SMILES for 1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane is C=C(C(=O)c1ccccc1Cl)c1ccccc1.ClCCl.
What is the InChIKey of 1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane?
The InChIKey is KSQSFCPUBTXABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO.CH2Cl2/c1-11(12-7-3-2-4-8-12)15(17)13-9-5-6-10-14(13)16;2-1-3/h2-10H,1H2;1H2.
What are the key properties of 1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane?
1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane has a molecular weight of 327.64 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-phenylprop-2-en-1-one;dichloromethane is sourced from PubChem (CID 159229035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).