3-(1-methoxycyclobutyl)benzoic acid

C12H14O3 — CID 67062832

IUPAC3-(1-methoxycyclobutyl)benzoic acid
SMILESCOC1(c2cccc(C(=O)O)c2)CCC1
InChIInChI=1S/C12H14O3/c1-15-12(6-3-7-12)10-5-2-4-9(8-10)11(13)14/h2,4-5,8H,3,6-7H2,1H3,(H,13,14)
InChIKeyFPEYBMUOGFYHRS-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.41
Rot. Bonds3

About 3-(1-methoxycyclobutyl)benzoic acid

3-(1-methoxycyclobutyl)benzoic acid (PubChem CID 67062832) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(1-methoxycyclobutyl)benzoic acid.

Molecular Properties

Compound Name3-(1-methoxycyclobutyl)benzoic acid
PubChem CID67062832
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-(1-methoxycyclobutyl)benzoic acid
SMILESCOC1(c2cccc(C(=O)O)c2)CCC1
InChIInChI=1S/C12H14O3/c1-15-12(6-3-7-12)10-5-2-4-9(8-10)11(13)14/h2,4-5,8H,3,6-7H2,1H3,(H,13,14)
InChIKeyFPEYBMUOGFYHRS-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methoxycyclopentyl)benzoic acid
CID 115031955
2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone
CID 117115504
3-[3-(1-methoxycyclopropyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112561
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]benzoic acid
CID 172639068
3-(1,2,2-trifluorocyclopropyl)benzoic acid
CID 155822897
3-(3-methyl-2-oxopyrrolidin-3-yl)benzoic acid
CID 166172443
2-amino-3-[3-(1-methoxycyclopropyl)phenyl]propanoic acid
CID 117115161
3-[1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]cycloheptyl]benzoic acid
CID 143461690
4-methoxy-4-phenylcyclohexan-1-one
CID 22492992
3-[[(1-methylcyclobutyl)amino]methyl]benzoic acid
CID 103264825
3-(3-fluoroazetidin-3-yl)benzoic acid
CID 138039761
methyl 3-(1-hydroxycyclopropyl)benzoate
CID 130756683

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycyclobutyl)benzoic acid?
The IUPAC name of 3-(1-methoxycyclobutyl)benzoic acid (CID 67062832) is 3-(1-methoxycyclobutyl)benzoic acid.
What is the SMILES notation for 3-(1-methoxycyclobutyl)benzoic acid?
The canonical SMILES for 3-(1-methoxycyclobutyl)benzoic acid is COC1(c2cccc(C(=O)O)c2)CCC1.
What is the InChIKey of 3-(1-methoxycyclobutyl)benzoic acid?
The InChIKey is FPEYBMUOGFYHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-15-12(6-3-7-12)10-5-2-4-9(8-10)11(13)14/h2,4-5,8H,3,6-7H2,1H3,(H,13,14).
What are the key properties of 3-(1-methoxycyclobutyl)benzoic acid?
3-(1-methoxycyclobutyl)benzoic acid has a molecular weight of 206.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycyclobutyl)benzoic acid is sourced from PubChem (CID 67062832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).