3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid

C14H17ClO3 — CID 117425357

IUPAC3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
SMILESCc1cc(Cl)c(OCC2CC2)c(CCC(=O)O)c1
InChIInChI=1S/C14H17ClO3/c1-9-6-11(4-5-13(16)17)14(12(15)7-9)18-8-10-2-3-10/h6-7,10H,2-5,8H2,1H3,(H,16,17)
InChIKeyIDQCUTBTNDEQMK-UHFFFAOYSA-N
MW268.74 g/mol
LogP3.45
Rot. Bonds6

About 3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid

3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid (PubChem CID 117425357) has the molecular formula C14H17ClO3 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
PubChem CID117425357
Molecular FormulaC14H17ClO3
Molecular Weight268.74 g/mol
Exact Mass268.09
IUPAC Name3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
SMILESCc1cc(Cl)c(OCC2CC2)c(CCC(=O)O)c1
InChIInChI=1S/C14H17ClO3/c1-9-6-11(4-5-13(16)17)14(12(15)7-9)18-8-10-2-3-10/h6-7,10H,2-5,8H2,1H3,(H,16,17)
InChIKeyIDQCUTBTNDEQMK-UHFFFAOYSA-N
XLogP3.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-chloro-2-(cyclopropylmethoxy)-5-fluorophenyl]propanoic acid
CID 117434417
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]ethanone
CID 84700906
1-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propan-2-amine
CID 117387846
1-[3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propyl]-4-methylpiperazine
CID 170863792
3-chloro-2-(cyclobutylmethoxy)-5-methylphenol
CID 84690826
1-[3-chloro-2-(cyclobutylmethoxy)-5-methylphenyl]ethanone
CID 117384912
3-(3-chloro-2-fluoro-5-methylphenyl)propanoic acid
CID 84682257
3-[3-bromo-2-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117481659
3-[3,5-dichloro-4-[[3-(cyclopropylmethylamino)-5-methylphenyl]methoxy]phenyl]propanoic acid
CID 69247001
3-(3,5-dichloro-2-propoxyphenyl)propanoic acid
CID 82267091
3-(4-chloro-2,6-dimethylquinolin-8-yl)propanoic acid
CID 82578036
3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117389863

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid?
The IUPAC name of 3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid (CID 117425357) is 3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid.
What is the SMILES notation for 3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid?
The canonical SMILES for 3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid is Cc1cc(Cl)c(OCC2CC2)c(CCC(=O)O)c1.
What is the InChIKey of 3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid?
The InChIKey is IDQCUTBTNDEQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO3/c1-9-6-11(4-5-13(16)17)14(12(15)7-9)18-8-10-2-3-10/h6-7,10H,2-5,8H2,1H3,(H,16,17).
What are the key properties of 3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid?
3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid has a molecular weight of 268.74 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid is sourced from PubChem (CID 117425357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).