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

C14H18O3 — CID 117340664

IUPAC2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
SMILESCc1ccc(OCC2CC2)c(C(C)C(=O)O)c1
InChIInChI=1S/C14H18O3/c1-9-3-6-13(17-8-11-4-5-11)12(7-9)10(2)14(15)16/h3,6-7,10-11H,4-5,8H2,1-2H3,(H,15,16)
InChIKeyDIDBDEQKWOQBAZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.97
Rot. Bonds5

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

2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid (PubChem CID 117340664) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
PubChem CID117340664
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
SMILESCc1ccc(OCC2CC2)c(C(C)C(=O)O)c1
InChIInChI=1S/C14H18O3/c1-9-3-6-13(17-8-11-4-5-11)12(7-9)10(2)14(15)16/h3,6-7,10-11H,4-5,8H2,1-2H3,(H,15,16)
InChIKeyDIDBDEQKWOQBAZ-UHFFFAOYSA-N
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117344706
3-amino-2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117376384
2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117379136
2-[3-bromo-2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117498299
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid
CID 117367982
(1S)-1-[2-(cyclopropylmethoxy)-4-methylphenyl]ethanamine
CID 78947289
1-[2-(cyclopentylmethoxy)-5-methylphenyl]-N-ethylethanamine
CID 61344981
[2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid
CID 43560577
1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol
CID 117376905
2-(2-ethoxy-5-sulfanylphenyl)propanoic acid
CID 134658458
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid?
The IUPAC name of 2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid (CID 117340664) is 2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid.
What is the SMILES notation for 2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid?
The canonical SMILES for 2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid is Cc1ccc(OCC2CC2)c(C(C)C(=O)O)c1.
What is the InChIKey of 2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid?
The InChIKey is DIDBDEQKWOQBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9-3-6-13(17-8-11-4-5-11)12(7-9)10(2)14(15)16/h3,6-7,10-11H,4-5,8H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid?
2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid has a molecular weight of 234.30 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid is sourced from PubChem (CID 117340664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).