methyl 2-(2-chlorophenoxy)-2-phenylacetate

C15H13ClO3 — CID 102391876

IUPACmethyl 2-(2-chlorophenoxy)-2-phenylacetate
SMILESCOC(=O)C(Oc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H13ClO3/c1-18-15(17)14(11-7-3-2-4-8-11)19-13-10-6-5-9-12(13)16/h2-10,14H,1H3
InChIKeyIPVMQYMBWCTZJE-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.63
Rot. Bonds4

About methyl 2-(2-chlorophenoxy)-2-phenylacetate

methyl 2-(2-chlorophenoxy)-2-phenylacetate (PubChem CID 102391876) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is methyl 2-(2-chlorophenoxy)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(2-chlorophenoxy)-2-phenylacetate
PubChem CID102391876
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Namemethyl 2-(2-chlorophenoxy)-2-phenylacetate
SMILESCOC(=O)C(Oc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C15H13ClO3/c1-18-15(17)14(11-7-3-2-4-8-11)19-13-10-6-5-9-12(13)16/h2-10,14H,1H3
InChIKeyIPVMQYMBWCTZJE-UHFFFAOYSA-N
XLogP3.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2-formylphenoxy)-2-phenylacetate
CID 87797080
(2-methoxy-2-oxo-1-phenylethyl) 2-chlorobenzoate
CID 177426397
methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate
CID 99737716
methyl 2-amino-3-(2-chlorophenoxy)butanoate
CID 86263211
methyl 2-[4-(bromomethyl)-2,6-dichlorophenoxy]-2-phenylacetate
CID 19385677
methyl (2S)-2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetate
CID 7345390
methyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxy-2-phenylacetate
CID 4914802
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
methyl (2S)-2-phenyl-2-propan-2-yloxyacetate
CID 102179999
methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
2-(2-chloro-4-methylphenoxy)-2-phenylacetohydrazide
CID 63569668
methyl 2-phenyl-2-trimethylsilyloxyacetate
CID 601544

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chlorophenoxy)-2-phenylacetate?
The IUPAC name of methyl 2-(2-chlorophenoxy)-2-phenylacetate (CID 102391876) is methyl 2-(2-chlorophenoxy)-2-phenylacetate.
What is the SMILES notation for methyl 2-(2-chlorophenoxy)-2-phenylacetate?
The canonical SMILES for methyl 2-(2-chlorophenoxy)-2-phenylacetate is COC(=O)C(Oc1ccccc1Cl)c1ccccc1.
What is the InChIKey of methyl 2-(2-chlorophenoxy)-2-phenylacetate?
The InChIKey is IPVMQYMBWCTZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-18-15(17)14(11-7-3-2-4-8-11)19-13-10-6-5-9-12(13)16/h2-10,14H,1H3.
What are the key properties of methyl 2-(2-chlorophenoxy)-2-phenylacetate?
methyl 2-(2-chlorophenoxy)-2-phenylacetate has a molecular weight of 276.72 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chlorophenoxy)-2-phenylacetate is sourced from PubChem (CID 102391876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).