2-(cyclopentyloxymethyl)benzoic acid

C13H16O3 — CID 43473147

IUPAC2-(cyclopentyloxymethyl)benzoic acid
SMILESO=C(O)c1ccccc1COC1CCCC1
InChIInChI=1S/C13H16O3/c14-13(15)12-8-4-1-5-10(12)9-16-11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9H2,(H,14,15)
InChIKeyUYNGJFLMYATKSC-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.84
Rot. Bonds4

About 2-(cyclopentyloxymethyl)benzoic acid

2-(cyclopentyloxymethyl)benzoic acid (PubChem CID 43473147) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(cyclopentyloxymethyl)benzoic acid.

Molecular Properties

Compound Name2-(cyclopentyloxymethyl)benzoic acid
PubChem CID43473147
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-(cyclopentyloxymethyl)benzoic acid
SMILESO=C(O)c1ccccc1COC1CCCC1
InChIInChI=1S/C13H16O3/c14-13(15)12-8-4-1-5-10(12)9-16-11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9H2,(H,14,15)
InChIKeyUYNGJFLMYATKSC-UHFFFAOYSA-N
XLogP2.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclobutyloxymethyl)benzohydrazide
CID 63568933
2-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251682
2-[(cyclopentyloxyamino)methyl]benzoic acid
CID 103262137
2-(cyclopentyloxymethoxy)benzoic acid
CID 68845685
2-(cycloheptyloxymethyl)benzenecarboximidamide
CID 61070841
azane;cyclopentyloxymethylbenzene
CID 69411306
2-[(cyclohexylamino)methyl]benzoic acid
CID 17156908
2-(2-cyclobutylethoxymethyl)benzoic acid
CID 106199375
2-[2-(cyclopentylamino)ethyl]benzoic acid
CID 82934034
2-[(cyclohexylamino)methyl]benzoic acid;hydrochloride
CID 17156907
methyl 2-(oxan-4-yloxymethyl)benzoate
CID 81434511
2-(2-cyclobutyloxyethoxy)benzoic acid
CID 62115794

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentyloxymethyl)benzoic acid?
The IUPAC name of 2-(cyclopentyloxymethyl)benzoic acid (CID 43473147) is 2-(cyclopentyloxymethyl)benzoic acid.
What is the SMILES notation for 2-(cyclopentyloxymethyl)benzoic acid?
The canonical SMILES for 2-(cyclopentyloxymethyl)benzoic acid is O=C(O)c1ccccc1COC1CCCC1.
What is the InChIKey of 2-(cyclopentyloxymethyl)benzoic acid?
The InChIKey is UYNGJFLMYATKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-13(15)12-8-4-1-5-10(12)9-16-11-6-2-3-7-11/h1,4-5,8,11H,2-3,6-7,9H2,(H,14,15).
What are the key properties of 2-(cyclopentyloxymethyl)benzoic acid?
2-(cyclopentyloxymethyl)benzoic acid has a molecular weight of 220.27 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentyloxymethyl)benzoic acid is sourced from PubChem (CID 43473147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).