3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid

C12H14O3 — CID 67514282

IUPAC3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1ccc(C2CC(C(=O)O)C2)cc1
InChIInChI=1S/C12H14O3/c1-15-11-4-2-8(3-5-11)9-6-10(7-9)12(13)14/h2-5,9-10H,6-7H2,1H3,(H,13,14)
InChIKeyBYDKDOSCORGVSY-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.27
Rot. Bonds3

About 3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid

3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid (PubChem CID 67514282) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid
PubChem CID67514282
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1ccc(C2CC(C(=O)O)C2)cc1
InChIInChI=1S/C12H14O3/c1-15-11-4-2-8(3-5-11)9-6-10(7-9)12(13)14/h2-5,9-10H,6-7H2,1H3,(H,13,14)
InChIKeyBYDKDOSCORGVSY-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methane;5-(4-methoxyphenyl)piperidine-3-carboxylic acid
CID 159331241
3-[4-(difluoromethoxy)phenyl]cyclobutane-1-carboxylic acid
CID 62055663
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
1-(3-ethylcyclobutyl)-4-methoxybenzene
CID 166481315
2-[4-(4-methoxyphenyl)piperidin-1-yl]-2-oxoacetic acid
CID 82133438
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]-N-methylacetamide
CID 43635290
N-(3-isothiocyanatocyclobutyl)-3-(4-methoxyphenyl)cyclobutane-1-carboxamide
CID 146236598
1-amino-4-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 22145272
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
2-(4-methoxyphenyl)bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
CID 174158364
N-(3-isothiocyanatocyclobutyl)-3-(4-methoxyphenyl)cyclobutane-1-carboxamide;molecular hydrogen
CID 153363145
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]ethylurea
CID 83109435

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid (CID 67514282) is 3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid is COc1ccc(C2CC(C(=O)O)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is BYDKDOSCORGVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-11-4-2-8(3-5-11)9-6-10(7-9)12(13)14/h2-5,9-10H,6-7H2,1H3,(H,13,14).
What are the key properties of 3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid?
3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 67514282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).