2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid

C13H16O4 — CID 61379750

IUPAC2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(OC2CCCC2O)c1
InChIInChI=1S/C13H16O4/c1-8-5-6-9(13(15)16)12(7-8)17-11-4-2-3-10(11)14/h5-7,10-11,14H,2-4H2,1H3,(H,15,16)
InChIKeyCLPPGZOQONBFFJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.99
Rot. Bonds3

About 2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid

2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid (PubChem CID 61379750) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid
PubChem CID61379750
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(OC2CCCC2O)c1
InChIInChI=1S/C13H16O4/c1-8-5-6-9(13(15)16)12(7-8)17-11-4-2-3-10(11)14/h5-7,10-11,14H,2-4H2,1H3,(H,15,16)
InChIKeyCLPPGZOQONBFFJ-UHFFFAOYSA-N
XLogP1.99
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutyloxy-4-methylbenzoic acid
CID 62700894
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclopentan-1-ol
CID 102735392
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
4-methyl-2-(oxan-4-yloxy)benzoic acid
CID 62701923
3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid
CID 60885040
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 63651051
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 78947415
2-(2-hydroxycycloheptyl)oxy-5-iodobenzoic acid
CID 82995256
2-(2,6-dimethyloxan-4-yl)oxy-4-methylbenzoic acid
CID 113369129
2-(dimethylaminooxy)-4-methylbenzoic acid
CID 89183969
2-[1-(cyclopentylamino)-1-oxopropan-2-yl]oxy-4-methylbenzoic acid
CID 60651700
2-(2-ethylcyclohexyl)oxy-4-fluorobenzoic acid
CID 107014244

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid?
The IUPAC name of 2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid (CID 61379750) is 2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid.
What is the SMILES notation for 2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid?
The canonical SMILES for 2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(OC2CCCC2O)c1.
What is the InChIKey of 2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid?
The InChIKey is CLPPGZOQONBFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-8-5-6-9(13(15)16)12(7-8)17-11-4-2-3-10(11)14/h5-7,10-11,14H,2-4H2,1H3,(H,15,16).
What are the key properties of 2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid?
2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclopentyl)oxy-4-methylbenzoic acid is sourced from PubChem (CID 61379750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).