2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid

C15H20O4 — CID 117415272

IUPAC2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid
SMILESCc1cc(OCC2CCC2)c(C(O)C(=O)O)cc1C
InChIInChI=1S/C15H20O4/c1-9-6-12(14(16)15(17)18)13(7-10(9)2)19-8-11-4-3-5-11/h6-7,11,14,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyQAULEVRCJBJECI-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.60
Rot. Bonds5

About 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid

2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid (PubChem CID 117415272) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid
PubChem CID117415272
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid
SMILESCc1cc(OCC2CCC2)c(C(O)C(=O)O)cc1C
InChIInChI=1S/C15H20O4/c1-9-6-12(14(16)15(17)18)13(7-10(9)2)19-8-11-4-3-5-11/h6-7,11,14,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyQAULEVRCJBJECI-UHFFFAOYSA-N
XLogP2.60
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetate
CID 117472199
2-[2-(cyclobutylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117379136
2-[2-(cyclobutylmethoxy)-5-fluorophenyl]-2-hydroxyacetic acid
CID 117388525
2-[2-(cyclopropylmethoxy)-5-methylphenyl]-2-hydroxyacetic acid
CID 117344706
1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]propan-2-one
CID 117368520
2-[4-(cyclobutylmethoxy)-3-fluorophenyl]-2-hydroxyacetic acid
CID 117388527
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690
2-[1-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]cyclopropyl]acetic acid
CID 117466033
(1S)-1-[2-(cyclobutylmethoxy)-4-methylphenyl]ethanol
CID 79008660
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
2-amino-6-(cyclobutylmethoxy)-3,4-dimethylphenol
CID 84686875
1-[2-(cyclobutylmethoxy)-4-fluorophenyl]ethanol
CID 65459898

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid (CID 117415272) is 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid is Cc1cc(OCC2CCC2)c(C(O)C(=O)O)cc1C.
What is the InChIKey of 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid?
The InChIKey is QAULEVRCJBJECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9-6-12(14(16)15(17)18)13(7-10(9)2)19-8-11-4-3-5-11/h6-7,11,14,16H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid?
2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid has a molecular weight of 264.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethoxy)-4,5-dimethylphenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 117415272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).