2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride

C16H14Cl2O — CID 18426294

IUPAC2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride
SMILESCc1cc(C(C)C(=O)Cl)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2O/c1-10-9-13(11(2)16(18)19)5-8-15(10)12-3-6-14(17)7-4-12/h3-9,11H,1-2H3
InChIKeyYGMXTRWBPQJHMH-UHFFFAOYSA-N
MW293.19 g/mol
LogP5.18
Rot. Bonds3

About 2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride

2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride (PubChem CID 18426294) has the molecular formula C16H14Cl2O and a molecular weight of 293.19 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride
PubChem CID18426294
Molecular FormulaC16H14Cl2O
Molecular Weight293.19 g/mol
Exact Mass292.04
IUPAC Name2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride
SMILESCc1cc(C(C)C(=O)Cl)ccc1-c1ccc(Cl)cc1
InChIInChI=1S/C16H14Cl2O/c1-10-9-13(11(2)16(18)19)5-8-15(10)12-3-6-14(17)7-4-12/h3-9,11H,1-2H3
InChIKeyYGMXTRWBPQJHMH-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.19
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
2-(3-fluoro-4-phenylphenyl)propanoyl chloride
CID 11032707
2-(4-methylphenyl)propanoyl chloride
CID 14946079
2-(4-propan-2-ylphenyl)propanoyl chloride
CID 14553074
methyl 4-(4-chlorophenyl)-3-methylbenzoate
CID 58610225
2-(4-methyl-3-phenylphenyl)propanoic acid
CID 117353578
2-(3-bromo-5-chlorophenyl)propanoyl chloride
CID 57458809
2,4-bis[3-chloro-4-(4-fluorophenyl)phenyl]pentan-3-one
CID 141029960
1-(4-chlorophenyl)-2-methyl-4-nitrobenzene
CID 57438279
2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene
CID 131990321
2-[[4-(4-chlorophenyl)-3-methylphenyl]methylamino]-3-hydroxypropanoic acid
CID 175181689
(3S)-3-(4-chlorophenyl)butan-2-one
CID 94841773

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride?
The IUPAC name of 2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride (CID 18426294) is 2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride?
The canonical SMILES for 2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride is Cc1cc(C(C)C(=O)Cl)ccc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride?
The InChIKey is YGMXTRWBPQJHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O/c1-10-9-13(11(2)16(18)19)5-8-15(10)12-3-6-14(17)7-4-12/h3-9,11H,1-2H3.
What are the key properties of 2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride?
2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride has a molecular weight of 293.19 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-3-methylphenyl]propanoyl chloride is sourced from PubChem (CID 18426294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).