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

C12H13ClO2 — CID 174254257

IUPACmethyl 2-(4-chloro-2-cyclopropylphenyl)acetate
SMILESCOC(=O)Cc1ccc(Cl)cc1C1CC1
InChIInChI=1S/C12H13ClO2/c1-15-12(14)6-9-4-5-10(13)7-11(9)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3
InChIKeyNNSCONNNOVPYEZ-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.93
Rot. Bonds3

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

methyl 2-(4-chloro-2-cyclopropylphenyl)acetate (PubChem CID 174254257) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is methyl 2-(4-chloro-2-cyclopropylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-chloro-2-cyclopropylphenyl)acetate
PubChem CID174254257
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Namemethyl 2-(4-chloro-2-cyclopropylphenyl)acetate
SMILESCOC(=O)Cc1ccc(Cl)cc1C1CC1
InChIInChI=1S/C12H13ClO2/c1-15-12(14)6-9-4-5-10(13)7-11(9)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3
InChIKeyNNSCONNNOVPYEZ-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-cyclopentylphenyl)acetate
CID 117047538
methyl 4-(4-chloro-2-cyclohexylphenoxy)butanoate
CID 43378258
methyl 2-(4-cyclohexylnaphthalen-1-yl)acetate
CID 23346484
methyl 2-[4-(4-chlorophenyl)-2-methoxyphenyl]acetate
CID 12732375
methyl 3-(4-chloro-2-fluorophenyl)propanoate
CID 91755213
methyl 2-(4-bromo-2-cyclopropyl-3-fluorophenyl)acetate
CID 167079672
(2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid
CID 138686156
ethyl 2-(4-chloro-2-cyclopropylphenoxy)acetate;formic acid
CID 165133464
methyl 3-[5-chloro-2-(hydroxymethyl)phenyl]sulfanylpropanoate
CID 114865525
methyl 5-chloro-2-piperidin-4-ylbenzoate
CID 59662176
methyl 2-(4-bromo-2-chloro-3-hydroxyphenyl)acetate
CID 171027468
methyl 3-(2-cyclopropyl-4-fluoro-3-methoxyphenyl)propanoate
CID 140666165

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chloro-2-cyclopropylphenyl)acetate?
The IUPAC name of methyl 2-(4-chloro-2-cyclopropylphenyl)acetate (CID 174254257) is methyl 2-(4-chloro-2-cyclopropylphenyl)acetate.
What is the SMILES notation for methyl 2-(4-chloro-2-cyclopropylphenyl)acetate?
The canonical SMILES for methyl 2-(4-chloro-2-cyclopropylphenyl)acetate is COC(=O)Cc1ccc(Cl)cc1C1CC1.
What is the InChIKey of methyl 2-(4-chloro-2-cyclopropylphenyl)acetate?
The InChIKey is NNSCONNNOVPYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-15-12(14)6-9-4-5-10(13)7-11(9)8-2-3-8/h4-5,7-8H,2-3,6H2,1H3.
What are the key properties of methyl 2-(4-chloro-2-cyclopropylphenyl)acetate?
methyl 2-(4-chloro-2-cyclopropylphenyl)acetate has a molecular weight of 224.69 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chloro-2-cyclopropylphenyl)acetate is sourced from PubChem (CID 174254257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).