2-(2-phenylmethoxycyclopentyl)acetic acid

C14H18O3 — CID 115040131

IUPAC2-(2-phenylmethoxycyclopentyl)acetic acid
SMILESO=C(O)CC1CCCC1OCc1ccccc1
InChIInChI=1S/C14H18O3/c15-14(16)9-12-7-4-8-13(12)17-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,15,16)
InChIKeySQMYJMXRLFKAGE-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.85
Rot. Bonds5

About 2-(2-phenylmethoxycyclopentyl)acetic acid

2-(2-phenylmethoxycyclopentyl)acetic acid (PubChem CID 115040131) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2-phenylmethoxycyclopentyl)acetic acid.

Molecular Properties

Compound Name2-(2-phenylmethoxycyclopentyl)acetic acid
PubChem CID115040131
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-(2-phenylmethoxycyclopentyl)acetic acid
SMILESO=C(O)CC1CCCC1OCc1ccccc1
InChIInChI=1S/C14H18O3/c15-14(16)9-12-7-4-8-13(12)17-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,15,16)
InChIKeySQMYJMXRLFKAGE-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
2,2-bis(phenylmethoxy)-3-(2-phenylmethoxycyclopentyl)propanoic acid
CID 67809766
2-[carboxymethyl-[(2S)-2-phenylmethoxycyclopentyl]amino]acetic acid
CID 132839013
[2-(isocyanatomethyl)cyclopentyl]oxymethylbenzene
CID 115038299
CID 15200792
CID 15200792
trans-(1R,2R)-2-phenylmethoxycyclopentan-1-amine;hydrobromide
CID 18681682
cis-(1R,2S)-2-phenylmethoxycyclohexan-1-ol
CID 10262402
[(1R,2R)-2-phenylmethoxycyclopentyl]azanium
CID 11863648
[(1R,2R)-2-(2,2-dimethoxyethyl)cyclopentyl]oxymethylbenzene
CID 122394514
1-N'-[(1S,2S)-2-phenylmethoxycyclopentyl]ethene-1,1-diamine
CID 143473195
2-(2-phenylmethoxycarbonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-yl)acetic acid
CID 167723393
trans-(1S,2S)-2-aminocyclopentan-1-ol;trans-(1S,2S)-2-phenylmethoxycyclopentan-1-amine;hydrochloride
CID 159130348

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxycyclopentyl)acetic acid?
The IUPAC name of 2-(2-phenylmethoxycyclopentyl)acetic acid (CID 115040131) is 2-(2-phenylmethoxycyclopentyl)acetic acid.
What is the SMILES notation for 2-(2-phenylmethoxycyclopentyl)acetic acid?
The canonical SMILES for 2-(2-phenylmethoxycyclopentyl)acetic acid is O=C(O)CC1CCCC1OCc1ccccc1.
What is the InChIKey of 2-(2-phenylmethoxycyclopentyl)acetic acid?
The InChIKey is SQMYJMXRLFKAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-14(16)9-12-7-4-8-13(12)17-10-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10H2,(H,15,16).
What are the key properties of 2-(2-phenylmethoxycyclopentyl)acetic acid?
2-(2-phenylmethoxycyclopentyl)acetic acid has a molecular weight of 234.30 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxycyclopentyl)acetic acid is sourced from PubChem (CID 115040131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).