2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride

C18H16Cl2O2 — CID 13236174

IUPAC2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride
SMILESCC(C(=O)Cl)c1ccc(Cc2ccccc2CC(=O)Cl)cc1
InChIInChI=1S/C18H16Cl2O2/c1-12(18(20)22)14-8-6-13(7-9-14)10-15-4-2-3-5-16(15)11-17(19)21/h2-9,12H,10-11H2,1H3
InChIKeyMWNZLTOZXHFSKC-UHFFFAOYSA-N
MW335.23 g/mol
LogP4.45
Rot. Bonds6

About 2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride

2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride (PubChem CID 13236174) has the molecular formula C18H16Cl2O2 and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride.

Molecular Properties

Compound Name2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride
PubChem CID13236174
Molecular FormulaC18H16Cl2O2
Molecular Weight335.23 g/mol
Exact Mass334.05
IUPAC Name2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride
SMILESCC(C(=O)Cl)c1ccc(Cc2ccccc2CC(=O)Cl)cc1
InChIInChI=1S/C18H16Cl2O2/c1-12(18(20)22)14-8-6-13(7-9-14)10-15-4-2-3-5-16(15)11-17(19)21/h2-9,12H,10-11H2,1H3
InChIKeyMWNZLTOZXHFSKC-UHFFFAOYSA-N
XLogP4.45
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-bromoethyl)phenyl]propanoyl chloride
CID 175259133
2-(4-propan-2-ylphenyl)propanoyl chloride
CID 14553074
2-(4-methylphenyl)propanoyl chloride
CID 14946079
2-(4-benzylphenyl)acetyl chloride
CID 18187385
[4-(1-chloro-1-oxopropan-2-yl)phenyl] acetate
CID 175136298
2-[2-[(4-methoxyphenyl)methyl]phenyl]acetic acid
CID 12743493
3-(2-benzylphenyl)-2-oxobutanoic acid
CID 70588375
(2R)-2-methyl-3-(2-methylphenyl)propanoyl chloride
CID 42328007
(2S)-2-[4-(2-methylpropyl)phenyl]-N-[(1S)-1-phenylethyl]propanamide
CID 1207292
1-[4-[[2-[(4-acetylphenyl)methyl]phenyl]methyl]phenyl]propan-2-one
CID 142235014
(2S)-2-(4-chlorophenyl)-N-methylpropanamide
CID 143748208
(2R)-2-(3-pentan-3-ylphenyl)propanoyl chloride
CID 87747015

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride?
The IUPAC name of 2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride (CID 13236174) is 2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride.
What is the SMILES notation for 2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride?
The canonical SMILES for 2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride is CC(C(=O)Cl)c1ccc(Cc2ccccc2CC(=O)Cl)cc1.
What is the InChIKey of 2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride?
The InChIKey is MWNZLTOZXHFSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2O2/c1-12(18(20)22)14-8-6-13(7-9-14)10-15-4-2-3-5-16(15)11-17(19)21/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride?
2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride has a molecular weight of 335.23 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2-chloro-2-oxoethyl)phenyl]methyl]phenyl]propanoyl chloride is sourced from PubChem (CID 13236174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).