2-(cyclopentyloxymethoxy)benzoic acid

C13H16O4 — CID 68845685

IUPAC2-(cyclopentyloxymethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCOC1CCCC1
InChIInChI=1S/C13H16O4/c14-13(15)11-7-3-4-8-12(11)17-9-16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15)
InChIKeyDZEZPMDUTCNSGT-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.68
Rot. Bonds5

About 2-(cyclopentyloxymethoxy)benzoic acid

2-(cyclopentyloxymethoxy)benzoic acid (PubChem CID 68845685) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(cyclopentyloxymethoxy)benzoic acid.

Molecular Properties

Compound Name2-(cyclopentyloxymethoxy)benzoic acid
PubChem CID68845685
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-(cyclopentyloxymethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCOC1CCCC1
InChIInChI=1S/C13H16O4/c14-13(15)11-7-3-4-8-12(11)17-9-16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15)
InChIKeyDZEZPMDUTCNSGT-UHFFFAOYSA-N
XLogP2.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclobutyloxyethoxy)benzoic acid
CID 62115794
2-(cyclopentyloxymethyl)benzoic acid
CID 43473147
2-(2-cyclopentylsulfonylethoxy)benzoic acid
CID 63114508
2-(2-cycloheptyloxyethoxy)benzohydrazide
CID 63570919
2-[(2-methylpiperidin-1-yl)methoxy]benzoic acid
CID 20986481
2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 43214278
2-[3-(cyclopentylmethylsulfanyl)propoxy]benzoic acid
CID 63119953
2-[2-(2-cyclopentylethylamino)ethoxy]benzoic acid
CID 103240030
2-[2-(2-methylpiperidin-1-yl)ethoxy]benzoic acid
CID 23009931
2-[2-(3,5-dimethylcyclohexyl)oxyethoxy]benzoic acid
CID 64730959
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoic acid
CID 170367933
cyclopentyl-[2-(methoxymethoxy)phenyl]methanone
CID 10082767

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentyloxymethoxy)benzoic acid?
The IUPAC name of 2-(cyclopentyloxymethoxy)benzoic acid (CID 68845685) is 2-(cyclopentyloxymethoxy)benzoic acid.
What is the SMILES notation for 2-(cyclopentyloxymethoxy)benzoic acid?
The canonical SMILES for 2-(cyclopentyloxymethoxy)benzoic acid is O=C(O)c1ccccc1OCOC1CCCC1.
What is the InChIKey of 2-(cyclopentyloxymethoxy)benzoic acid?
The InChIKey is DZEZPMDUTCNSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c14-13(15)11-7-3-4-8-12(11)17-9-16-10-5-1-2-6-10/h3-4,7-8,10H,1-2,5-6,9H2,(H,14,15).
What are the key properties of 2-(cyclopentyloxymethoxy)benzoic acid?
2-(cyclopentyloxymethoxy)benzoic acid has a molecular weight of 236.27 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentyloxymethoxy)benzoic acid is sourced from PubChem (CID 68845685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).