2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid

C13H15ClO2 — CID 79418256

IUPAC2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1Cl)CC1CC1
InChIInChI=1S/C13H15ClO2/c14-12-4-2-1-3-10(12)8-11(13(15)16)7-9-5-6-9/h1-4,9,11H,5-8H2,(H,15,16)
InChIKeyUMWRKVIQIMTOIU-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.38
Rot. Bonds5

About 2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid

2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid (PubChem CID 79418256) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid
PubChem CID79418256
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid
SMILESO=C(O)C(Cc1ccccc1Cl)CC1CC1
InChIInChI=1S/C13H15ClO2/c14-12-4-2-1-3-10(12)8-11(13(15)16)7-9-5-6-9/h1-4,9,11H,5-8H2,(H,15,16)
InChIKeyUMWRKVIQIMTOIU-UHFFFAOYSA-N
XLogP3.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,4S)-2-amino-4-[(2-chlorophenyl)methyl]pentanedioic acid
CID 10880215
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid
CID 63402472
2-[(2-chlorophenyl)methyl]-3-(3,4-dichlorophenyl)propanoic acid
CID 60794085
2-[[2-(acetyloxymethyl)phenyl]methyl]-3-cyclopentylpropanoic acid
CID 67664820
2-[(2-chlorophenyl)methyl]octanoic acid
CID 60793381
2-[(2-chlorophenyl)methyl]-5-phenylpent-4-ynoic acid
CID 79422249
3-[(2-chlorophenyl)methyl]-4-oxopentanoic acid
CID 11207203
2-[(2-chlorophenyl)methyl]-5-(2-methoxyethoxy)pentanoic acid
CID 103410965
2-[(2-chlorophenyl)methyl]-4-ethoxybutanoic acid
CID 60794360
2-[(2-chlorophenyl)methyl]-4-propoxybutanoic acid
CID 106454854
2-[(2-chlorophenyl)methylsulfanyl]-2-cyclopropylacetic acid
CID 103288004

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid (CID 79418256) is 2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid is O=C(O)C(Cc1ccccc1Cl)CC1CC1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid?
The InChIKey is UMWRKVIQIMTOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c14-12-4-2-1-3-10(12)8-11(13(15)16)7-9-5-6-9/h1-4,9,11H,5-8H2,(H,15,16).
What are the key properties of 2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid?
2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid has a molecular weight of 238.71 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-3-cyclopropylpropanoic acid is sourced from PubChem (CID 79418256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).