methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate

C16H15ClO2 — CID 10826221

IUPACmethyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(Cl)c2ccccc2)cc1
InChIInChI=1S/C16H15ClO2/c1-19-15(18)11-12-7-9-14(10-8-12)16(17)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKeyXPLUBQFMRLAKFL-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.73
Rot. Bonds4

About methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate

methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate (PubChem CID 10826221) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate
PubChem CID10826221
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Namemethyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(Cl)c2ccccc2)cc1
InChIInChI=1S/C16H15ClO2/c1-19-15(18)11-12-7-9-14(10-8-12)16(17)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3
InChIKeyXPLUBQFMRLAKFL-UHFFFAOYSA-N
XLogP3.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.73
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

CID 172801156
CID 172801156
methyl 2-[4-[benzenesulfonamido(phenyl)methyl]phenyl]acetate
CID 139640725
carbon dioxide;methyl 2-phenylacetate
CID 159198536
methyl 2-[4-[(2R)-1,4-diphenylbutan-2-yl]phenyl]acetate
CID 170179380
hexakis(methyl 2-phenylacetate);hexakis(N-phenylacetamide)
CID 174503010
methyl 2-[4-[2-[[(2R)-2-hydroxy-2-phenylethyl]amino]ethyl]phenyl]acetate
CID 54411286
2-(4-hydroxyphenyl)acetic acid;methyl 2-(4-hydroxyphenyl)acetate
CID 159047656
methyl 2-[4-[[(2,2-diphenylacetyl)amino]carbamothioylamino]phenyl]acetate
CID 3878777
bis(methyl 2-phenoxyacetate);hexakis(methyl 2-phenylacetate);bis(2-phenylacetic acid)
CID 174488693
methyl 3-[4-[amino(phenyl)methyl]phenyl]propanoate
CID 10635677
methyl 2-phenylacetate;pyridine
CID 22282999
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate?
The IUPAC name of methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate (CID 10826221) is methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate is COC(=O)Cc1ccc(C(Cl)c2ccccc2)cc1.
What is the InChIKey of methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate?
The InChIKey is XPLUBQFMRLAKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-19-15(18)11-12-7-9-14(10-8-12)16(17)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3.
What are the key properties of methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate?
methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate has a molecular weight of 274.75 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate is sourced from PubChem (CID 10826221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).