2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride

C17H16Cl2O2 — CID 154165073

IUPAC2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride
SMILESCC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cl
InChIInChI=1S/C17H16Cl2O2/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3
InChIKeyOBKCIDBHNZJSJW-UHFFFAOYSA-N
MW323.22 g/mol
LogP5.07
Rot. Bonds5

About 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride

2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride (PubChem CID 154165073) has the molecular formula C17H16Cl2O2 and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride
PubChem CID154165073
Molecular FormulaC17H16Cl2O2
Molecular Weight323.22 g/mol
Exact Mass322.05
IUPAC Name2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride
SMILESCC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cl
InChIInChI=1S/C17H16Cl2O2/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3
InChIKeyOBKCIDBHNZJSJW-UHFFFAOYSA-N
XLogP5.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.22
LogP ≤ 55.07
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

azane;2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-phenylbutanoic acid
CID 173433040
1-chloro-4-[4-(2-phenylbutan-2-yloxymethyl)phenyl]benzene
CID 59036889
N-tert-butyl-2-[4-(4-chlorophenyl)phenyl]acetamide
CID 59659873
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
1,3-bis[4-(4-chlorophenyl)phenyl]propan-2-one
CID 141275371
2-[(4-chlorophenyl)methoxy]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 13384299
methyl 3-[(4-chlorophenyl)methoxy]-2,2-dimethylpropanoate
CID 79622106
methyl (E)-2-[[4-(4-chlorophenyl)phenyl]methoxy]-3-hydroxyprop-2-enoate
CID 121476697
2,6-diamino-2-[(4-chlorophenyl)methoxy]hexanoic acid
CID 18940369
methyl 3-[(4-chlorophenyl)methoxy]-2-hydroxy-2-methylpropanoate
CID 65127216
diethyl 2-methyl-2-[(4-phenylphenyl)methoxy]propanedioate
CID 67230867
(4-chlorophenyl)methyl N,N-dimethylcarbamate
CID 12963457

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride?
The IUPAC name of 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride (CID 154165073) is 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride?
The canonical SMILES for 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride is CC(C)(OCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)Cl.
What is the InChIKey of 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride?
The InChIKey is OBKCIDBHNZJSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2O2/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3.
What are the key properties of 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride?
2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride has a molecular weight of 323.22 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-methylpropanoyl chloride is sourced from PubChem (CID 154165073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).