methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate

C13H15ClO2 — CID 170904406

IUPACmethyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate
SMILESCOC(=O)C(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H15ClO2/c1-16-13(15)12(10-4-5-10)8-9-2-6-11(14)7-3-9/h2-3,6-7,10,12H,4-5,8H2,1H3
InChIKeyCVMLYEJWQNYLGI-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.08
Rot. Bonds4

About methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate

methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate (PubChem CID 170904406) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate.

Molecular Properties

Compound Namemethyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate
PubChem CID170904406
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Namemethyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate
SMILESCOC(=O)C(Cc1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C13H15ClO2/c1-16-13(15)12(10-4-5-10)8-9-2-6-11(14)7-3-9/h2-3,6-7,10,12H,4-5,8H2,1H3
InChIKeyCVMLYEJWQNYLGI-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
methyl (2R)-2-amino-3-(4-chlorophenyl)propanoate
CID 827422
methyl (2R)-2-(chloroamino)-3-(4-chlorophenyl)propanoate
CID 89299505
methyl (2R)-3-(4-chlorophenyl)-2-isocyanopropanoate
CID 97291393
methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate
CID 57045701
methyl (2S)-2-[(4-chlorophenyl)methyl]-3-dimethoxyphosphorylpropanoate
CID 102381122
methyl 3-(4-chlorophenyl)-2-(propan-2-ylamino)propanoate
CID 58866289
methyl (2R)-3-(2,4-dichlorophenyl)-2-[(5R)-5-methylcyclodecyl]propanoate
CID 134591238
methyl (2S)-3-[(4-chlorophenyl)methylamino]-2-cyclopentyl-3-oxopropanoate
CID 804141
3-(4-chlorophenyl)-N-methoxy-2-methylpropanamide
CID 110618089
methyl (2R)-2-[[[(2R)-2-bromopropanoyl]amino]methyl]-3-(4-chlorophenyl)propanoate
CID 97181684
2-[3-(4-chlorophenyl)-1-methoxy-1-oxopropan-2-yl]sulfanylacetic acid
CID 10684813

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate?
The IUPAC name of methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate (CID 170904406) is methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate.
What is the SMILES notation for methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate?
The canonical SMILES for methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate is COC(=O)C(Cc1ccc(Cl)cc1)C1CC1.
What is the InChIKey of methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate?
The InChIKey is CVMLYEJWQNYLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-16-13(15)12(10-4-5-10)8-9-2-6-11(14)7-3-9/h2-3,6-7,10,12H,4-5,8H2,1H3.
What are the key properties of methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate?
methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate has a molecular weight of 238.71 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-chlorophenyl)-2-cyclopropylpropanoate is sourced from PubChem (CID 170904406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).