3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid

C12H13ClO2 — CID 66685624

IUPAC3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid
SMILESO=C(O)CCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H13ClO2/c13-10-3-1-9(2-4-10)12(7-8-12)6-5-11(14)15/h1-4H,5-8H2,(H,14,15)
InChIKeyZRBJICYQSYHCJF-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.24
Rot. Bonds4

About 3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid

3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid (PubChem CID 66685624) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid
PubChem CID66685624
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid
SMILESO=C(O)CCC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C12H13ClO2/c13-10-3-1-9(2-4-10)12(7-8-12)6-5-11(14)15/h1-4H,5-8H2,(H,14,15)
InChIKeyZRBJICYQSYHCJF-UHFFFAOYSA-N
XLogP3.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-phenylcyclobutyl)propanoic acid
CID 91807231
3-[(1S)-6-chloro-1-(4-chlorophenyl)-2,3-dihydroinden-1-yl]propanoic acid
CID 141125788
3-[1-[(4-chlorophenyl)carbamoyl]-3-[4-(trifluoromethyl)phenyl]piperidin-3-yl]propanoic acid
CID 46883032
2-[1-(3-chloro-4-fluorophenyl)cyclopropyl]acetic acid
CID 82391155
1-[1-(4-chlorophenyl)cyclobutyl]propan-2-one
CID 13083375
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
2-[1-(4-chlorophenyl)cyclopentyl]-N,N-diethylacetamide
CID 139928433
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
1-[1-(4-chlorophenyl)cyclopropyl]-N,N-dimethylmethanamine
CID 21365272
2-[[1-(4-chlorophenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 110935474
3-[3-[4-(2-methylpropyl)phenyl]oxetan-3-yl]propanoic acid
CID 116871921
(2S)-2-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-hydroxypropanamide
CID 118786770

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid (CID 66685624) is 3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid is O=C(O)CCC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid?
The InChIKey is ZRBJICYQSYHCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c13-10-3-1-9(2-4-10)12(7-8-12)6-5-11(14)15/h1-4H,5-8H2,(H,14,15).
What are the key properties of 3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid?
3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid has a molecular weight of 224.69 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclopropyl]propanoic acid is sourced from PubChem (CID 66685624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).