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

C13H16O4 — CID 117344706

IUPAC2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
SMILESCc1ccc(OCC2CC2)c(C(O)C(=O)O)c1
InChIInChI=1S/C13H16O4/c1-8-2-5-11(17-7-9-3-4-9)10(6-8)12(14)13(15)16/h2,5-6,9,12,14H,3-4,7H2,1H3,(H,15,16)
InChIKeyIQHMMUVLLGSABE-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.90
Rot. Bonds5

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

2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid (PubChem CID 117344706) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
PubChem CID117344706
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
SMILESCc1ccc(OCC2CC2)c(C(O)C(=O)O)c1
InChIInChI=1S/C13H16O4/c1-8-2-5-11(17-7-9-3-4-9)10(6-8)12(14)13(15)16/h2,5-6,9,12,14H,3-4,7H2,1H3,(H,15,16)
InChIKeyIQHMMUVLLGSABE-UHFFFAOYSA-N
XLogP1.90
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117379136
2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117340664
3-amino-2-[2-(cyclopropylmethoxy)-5-methylphenyl]propanoic acid
CID 117376384
2-[2-(cyclobutylmethoxy)-5-fluorophenyl]-2-hydroxyacetic acid
CID 117388525
2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid
CID 117415272
methyl 2-[2-(cyclopropylmethoxy)-5-fluorophenyl]-2-hydroxyacetate
CID 117388561
1-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-(methylamino)ethanol
CID 117376905
(1S)-1-[2-(cyclobutylmethoxy)-5-methylphenyl]ethanamine
CID 79007144
1-[2-(cyclopropylmethoxy)-5-methylphenyl]cyclopropane-1-carboxylic acid
CID 117367982
[2-(cyclopropylmethoxy)-5-methylphenyl]boronic acid
CID 43560577
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959
2-(cyclopropylmethoxy)-1,4-dimethylbenzene
CID 160770501

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid (CID 117344706) is 2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid is Cc1ccc(OCC2CC2)c(C(O)C(=O)O)c1.
What is the InChIKey of 2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid?
The InChIKey is IQHMMUVLLGSABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-8-2-5-11(17-7-9-3-4-9)10(6-8)12(14)13(15)16/h2,5-6,9,12,14H,3-4,7H2,1H3,(H,15,16).
What are the key properties of 2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid?
2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid has a molecular weight of 236.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117344706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).