4-(3-methylcyclobutyl)oxybenzoic acid

C12H14O3 — CID 156751955

IUPAC4-(3-methylcyclobutyl)oxybenzoic acid
SMILESCC1CC(Oc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C12H14O3/c1-8-6-11(7-8)15-10-4-2-9(3-5-10)12(13)14/h2-5,8,11H,6-7H2,1H3,(H,13,14)
InChIKeyOZHCUWOSLLLLAA-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.56
Rot. Bonds3

About 4-(3-methylcyclobutyl)oxybenzoic acid

4-(3-methylcyclobutyl)oxybenzoic acid (PubChem CID 156751955) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(3-methylcyclobutyl)oxybenzoic acid.

Molecular Properties

Compound Name4-(3-methylcyclobutyl)oxybenzoic acid
PubChem CID156751955
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name4-(3-methylcyclobutyl)oxybenzoic acid
SMILESCC1CC(Oc2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C12H14O3/c1-8-6-11(7-8)15-10-4-2-9(3-5-10)12(13)14/h2-5,8,11H,6-7H2,1H3,(H,13,14)
InChIKeyOZHCUWOSLLLLAA-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dimethylcyclohexyl)oxybenzoic acid
CID 64746307
(3-methylcyclobutyl)oxybenzene
CID 126670705
4-(4-cyclohexyloxyphenyl)benzoic acid
CID 23005106
(2S,4S)-4-(4-carboxyphenoxy)pyrrolidine-2-carboxylic acid
CID 58003784
1,4-dimethylcyclohexane;terephthalic acid
CID 66647934
5-[4-(3-methylcyclobutyl)oxyphenyl]pentanoic acid
CID 70920975
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
1-(3-methylcyclobutyl)oxy-4-(trifluoromethoxy)benzene
CID 167570136
4-(3,5-dimethylcyclohexyl)oxybenzenecarboximidamide
CID 64737284
1-(3,5-dimethylcyclohexyl)oxy-4-iodobenzene
CID 64736506
4-[[(2S,3S)-3-(4-carboxyphenoxy)-1,4-dioxan-2-yl]oxy]benzoic acid
CID 2311273
4-[4-[4-(trifluoromethyl)cyclohexyl]oxyphenyl]benzoic acid
CID 90177022

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclobutyl)oxybenzoic acid?
The IUPAC name of 4-(3-methylcyclobutyl)oxybenzoic acid (CID 156751955) is 4-(3-methylcyclobutyl)oxybenzoic acid.
What is the SMILES notation for 4-(3-methylcyclobutyl)oxybenzoic acid?
The canonical SMILES for 4-(3-methylcyclobutyl)oxybenzoic acid is CC1CC(Oc2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-(3-methylcyclobutyl)oxybenzoic acid?
The InChIKey is OZHCUWOSLLLLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8-6-11(7-8)15-10-4-2-9(3-5-10)12(13)14/h2-5,8,11H,6-7H2,1H3,(H,13,14).
What are the key properties of 4-(3-methylcyclobutyl)oxybenzoic acid?
4-(3-methylcyclobutyl)oxybenzoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclobutyl)oxybenzoic acid is sourced from PubChem (CID 156751955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).