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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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).