2-cyclobutyloxy-4-methylbenzoic acid

C12H14O3 — CID 62700894

IUPAC2-cyclobutyloxy-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(OC2CCC2)c1
InChIInChI=1S/C12H14O3/c1-8-5-6-10(12(13)14)11(7-8)15-9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,13,14)
InChIKeyZWSFZROXLHJBBL-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.62
Rot. Bonds3

About 2-cyclobutyloxy-4-methylbenzoic acid

2-cyclobutyloxy-4-methylbenzoic acid (PubChem CID 62700894) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-cyclobutyloxy-4-methylbenzoic acid.

Molecular Properties

Compound Name2-cyclobutyloxy-4-methylbenzoic acid
PubChem CID62700894
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-cyclobutyloxy-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(OC2CCC2)c1
InChIInChI=1S/C12H14O3/c1-8-5-6-10(12(13)14)11(7-8)15-9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,13,14)
InChIKeyZWSFZROXLHJBBL-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(oxan-4-yloxy)benzoic acid
CID 62701923
2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid
CID 61379750
2-(2,6-dimethyloxan-4-yl)oxy-4-methylbenzoic acid
CID 113369129
4-chloro-2-cyclobutyloxybenzoic acid
CID 63082704
4-bromo-2-cyclopentyloxybenzoic acid
CID 60763632
2-cyclohexyloxy-4-methoxybenzoic acid
CID 61269041
4-chloro-2-cyclohexyloxybenzoic acid
CID 61379499
(NE)-N-[1-(2-cyclopentyloxy-4-methylphenyl)ethylidene]hydroxylamine
CID 98566862
2-cyclopentyloxy-4-methylbenzenecarboximidamide
CID 62308845
2-(4-aminocyclohexyl)oxy-4-methylbenzenecarbothioic S-acid
CID 86619999
2-cyclopentyloxy-4-propoxybenzoic acid
CID 43472393
2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid
CID 60651700

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxy-4-methylbenzoic acid?
The IUPAC name of 2-cyclobutyloxy-4-methylbenzoic acid (CID 62700894) is 2-cyclobutyloxy-4-methylbenzoic acid.
What is the SMILES notation for 2-cyclobutyloxy-4-methylbenzoic acid?
The canonical SMILES for 2-cyclobutyloxy-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(OC2CCC2)c1.
What is the InChIKey of 2-cyclobutyloxy-4-methylbenzoic acid?
The InChIKey is ZWSFZROXLHJBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8-5-6-10(12(13)14)11(7-8)15-9-3-2-4-9/h5-7,9H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-cyclobutyloxy-4-methylbenzoic acid?
2-cyclobutyloxy-4-methylbenzoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxy-4-methylbenzoic acid is sourced from PubChem (CID 62700894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).