3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid

C13H15ClO3 — CID 117389808

IUPAC3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid
SMILESCc1cc(C(CC(=O)O)C2CC2)cc(Cl)c1O
InChIInChI=1S/C13H15ClO3/c1-7-4-9(5-11(14)13(7)17)10(6-12(15)16)8-2-3-8/h4-5,8,10,17H,2-3,6H2,1H3,(H,15,16)
InChIKeyUEUZPIWVCALFTN-UHFFFAOYSA-N
MW254.71 g/mol
LogP3.32
Rot. Bonds4

About 3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid

3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid (PubChem CID 117389808) has the molecular formula C13H15ClO3 and a molecular weight of 254.71 g/mol. Its IUPAC name is 3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid
PubChem CID117389808
Molecular FormulaC13H15ClO3
Molecular Weight254.71 g/mol
Exact Mass254.07
IUPAC Name3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid
SMILESCc1cc(C(CC(=O)O)C2CC2)cc(Cl)c1O
InChIInChI=1S/C13H15ClO3/c1-7-4-9(5-11(14)13(7)17)10(6-12(15)16)8-2-3-8/h4-5,8,10,17H,2-3,6H2,1H3,(H,15,16)
InChIKeyUEUZPIWVCALFTN-UHFFFAOYSA-N
XLogP3.32
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.71
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-methylphenyl)-3-cyclopropylpropanoic acid
CID 83824648
3-cyclopropyl-3-(4-hydroxy-3-methylphenyl)propanoic acid
CID 117314089
3-(3-chloro-5-ethyl-4-fluorophenyl)-3-cyclopropylpropanoic acid
CID 117429853
3-[3-chloro-4-(dimethylamino)phenyl]-3-cyclopropylpropanoic acid
CID 117423160
3-(3-chloro-2,6-difluoro-5-methylphenyl)-3-cyclopropylpropanoic acid
CID 117439156
5-(2-carboxy-1-cyclopropylethyl)-2-methylbenzoic acid
CID 117373279
3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117481176
3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112512772
3-[3-chloro-4-(1-methylazetidin-3-yl)phenyl]-3-cyclopropylpropanoic acid
CID 117474023
(3S)-3-(3-amino-4-chlorophenyl)-3-cyclopropylpropanoic acid;hydrochloride
CID 142599841
2-(3-chloro-4-hydroxy-5-methylphenyl)propanoic acid
CID 84783600
3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 117495361

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid?
The IUPAC name of 3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid (CID 117389808) is 3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid.
What is the SMILES notation for 3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid?
The canonical SMILES for 3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid is Cc1cc(C(CC(=O)O)C2CC2)cc(Cl)c1O.
What is the InChIKey of 3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid?
The InChIKey is UEUZPIWVCALFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO3/c1-7-4-9(5-11(14)13(7)17)10(6-12(15)16)8-2-3-8/h4-5,8,10,17H,2-3,6H2,1H3,(H,15,16).
What are the key properties of 3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid?
3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid has a molecular weight of 254.71 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-hydroxy-5-methylphenyl)-3-cyclopropylpropanoic acid is sourced from PubChem (CID 117389808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).