3-(1-methoxycyclopentyl)benzoic acid

C13H16O3 — CID 115031955

IUPAC3-(1-methoxycyclopentyl)benzoic acid
SMILESCOC1(c2cccc(C(=O)O)c2)CCCC1
InChIInChI=1S/C13H16O3/c1-16-13(7-2-3-8-13)11-6-4-5-10(9-11)12(14)15/h4-6,9H,2-3,7-8H2,1H3,(H,14,15)
InChIKeyNBTCSWGPTQOTEZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.80
Rot. Bonds3

About 3-(1-methoxycyclopentyl)benzoic acid

3-(1-methoxycyclopentyl)benzoic acid (PubChem CID 115031955) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(1-methoxycyclopentyl)benzoic acid.

Molecular Properties

Compound Name3-(1-methoxycyclopentyl)benzoic acid
PubChem CID115031955
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3-(1-methoxycyclopentyl)benzoic acid
SMILESCOC1(c2cccc(C(=O)O)c2)CCCC1
InChIInChI=1S/C13H16O3/c1-16-13(7-2-3-8-13)11-6-4-5-10(9-11)12(14)15/h4-6,9H,2-3,7-8H2,1H3,(H,14,15)
InChIKeyNBTCSWGPTQOTEZ-UHFFFAOYSA-N
XLogP2.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-methoxycyclobutyl)benzoic acid
CID 67062832
2-amino-1-[3-(1-methoxycyclopropyl)phenyl]ethanone
CID 117115504
1-bromo-3-(1-methoxycyclopentyl)benzene
CID 115047484
3-[1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]cycloheptyl]benzoic acid
CID 143461690
1-(4-methoxy-4-phenylpiperidin-1-yl)ethanone
CID 126758606
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
3-[3-(1-methoxycyclopropyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 115112561
2-amino-3-[3-(1-methoxycyclopropyl)phenyl]propanoic acid
CID 117115161
4-methoxy-4-phenylcyclohexan-1-one
CID 22492992
[1-(3-hydroxyphenyl)cyclopentyl] acetate
CID 169012987

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxycyclopentyl)benzoic acid?
The IUPAC name of 3-(1-methoxycyclopentyl)benzoic acid (CID 115031955) is 3-(1-methoxycyclopentyl)benzoic acid.
What is the SMILES notation for 3-(1-methoxycyclopentyl)benzoic acid?
The canonical SMILES for 3-(1-methoxycyclopentyl)benzoic acid is COC1(c2cccc(C(=O)O)c2)CCCC1.
What is the InChIKey of 3-(1-methoxycyclopentyl)benzoic acid?
The InChIKey is NBTCSWGPTQOTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-16-13(7-2-3-8-13)11-6-4-5-10(9-11)12(14)15/h4-6,9H,2-3,7-8H2,1H3,(H,14,15).
What are the key properties of 3-(1-methoxycyclopentyl)benzoic acid?
3-(1-methoxycyclopentyl)benzoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxycyclopentyl)benzoic acid is sourced from PubChem (CID 115031955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).