methyl 2-chloro-2-(4-phenylphenyl)acetate

C15H13ClO2 — CID 55048098

IUPACmethyl 2-chloro-2-(4-phenylphenyl)acetate
SMILESCOC(=O)C(Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H13ClO2/c1-18-15(17)14(16)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10,14H,1H3
InChIKeyAZBRRAGZNHRUAX-UHFFFAOYSA-N
MW260.72 g/mol
LogP3.81
Rot. Bonds3

About methyl 2-chloro-2-(4-phenylphenyl)acetate

methyl 2-chloro-2-(4-phenylphenyl)acetate (PubChem CID 55048098) has the molecular formula C15H13ClO2 and a molecular weight of 260.72 g/mol. Its IUPAC name is methyl 2-chloro-2-(4-phenylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-chloro-2-(4-phenylphenyl)acetate
PubChem CID55048098
Molecular FormulaC15H13ClO2
Molecular Weight260.72 g/mol
Exact Mass260.06
IUPAC Namemethyl 2-chloro-2-(4-phenylphenyl)acetate
SMILESCOC(=O)C(Cl)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H13ClO2/c1-18-15(17)14(16)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10,14H,1H3
InChIKeyAZBRRAGZNHRUAX-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.72
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-methyl-2-(4-phenylphenyl)butanoate
CID 65454371
methyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 54430210
methyl 2-chloro-2-[4-(difluoromethyl)phenyl]acetate
CID 115525358
dimethyl 2-(4-phenylbenzoyl)propanedioate
CID 10852564
methyl 2-(cyclopropylamino)-2-(4-phenylphenyl)acetate
CID 60796680
dimethyl 2-[(R)-dimethoxyphosphoryl-(4-phenylphenyl)methyl]propanedioate
CID 135764730
2-chloro-N,N-diethyl-2-(4-phenylphenyl)acetamide
CID 62225537
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
methyl 2-(3,4-diphenylphenyl)propanoate
CID 139706154
methyl 2-chloro-2-[4-(2-oxopropoxy)phenyl]acetate
CID 174270633
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-phenylphenyl)acetate
CID 46184727

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-2-(4-phenylphenyl)acetate?
The IUPAC name of methyl 2-chloro-2-(4-phenylphenyl)acetate (CID 55048098) is methyl 2-chloro-2-(4-phenylphenyl)acetate.
What is the SMILES notation for methyl 2-chloro-2-(4-phenylphenyl)acetate?
The canonical SMILES for methyl 2-chloro-2-(4-phenylphenyl)acetate is COC(=O)C(Cl)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of methyl 2-chloro-2-(4-phenylphenyl)acetate?
The InChIKey is AZBRRAGZNHRUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO2/c1-18-15(17)14(16)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10,14H,1H3.
What are the key properties of methyl 2-chloro-2-(4-phenylphenyl)acetate?
methyl 2-chloro-2-(4-phenylphenyl)acetate has a molecular weight of 260.72 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-2-(4-phenylphenyl)acetate is sourced from PubChem (CID 55048098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).