2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid

C15H20O4 — CID 66652406

IUPAC2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid
SMILESCOc1ccc(OC)c(C2CCCC2CC(=O)O)c1
InChIInChI=1S/C15H20O4/c1-18-11-6-7-14(19-2)13(9-11)12-5-3-4-10(12)8-15(16)17/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyZVTFXOHUMAIGIH-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.06
Rot. Bonds5

About 2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid

2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid (PubChem CID 66652406) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid
PubChem CID66652406
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid
SMILESCOc1ccc(OC)c(C2CCCC2CC(=O)O)c1
InChIInChI=1S/C15H20O4/c1-18-11-6-7-14(19-2)13(9-11)12-5-3-4-10(12)8-15(16)17/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyZVTFXOHUMAIGIH-UHFFFAOYSA-N
XLogP3.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-methoxyphenyl)cyclohexyl]acetic acid
CID 66651942
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]propan-1-amine
CID 81033055
N-[[2-(2,5-dimethoxyphenyl)cyclohexyl]methyl]ethanamine
CID 81027759
N-[[2-(2,5-dimethoxyphenyl)cyclopentyl]methyl]cyclopropanamine
CID 81033094
trans-(1R,2S)-2-(2,5-dimethoxyphenyl)cyclohexan-1-ol
CID 6994758
3-(2,5-dimethoxyphenyl)-1-azabicyclo[2.2.2]octane;oxalic acid
CID 19802571
4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 63938447
N-[[2-(2,5-dimethoxyphenyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81023713
2-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 83911058
1-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]-N-methylmethanamine
CID 94558417
N-methoxy-2-[5-methoxy-2-(methoxymethoxy)phenyl]-N-methylcyclopentane-1-carboxamide
CID 21364620
(3S,4R)-1-benzyl-4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70344014

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid (CID 66652406) is 2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid is COc1ccc(OC)c(C2CCCC2CC(=O)O)c1.
What is the InChIKey of 2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid?
The InChIKey is ZVTFXOHUMAIGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-18-11-6-7-14(19-2)13(9-11)12-5-3-4-10(12)8-15(16)17/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid?
2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid has a molecular weight of 264.32 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethoxyphenyl)cyclopentyl]acetic acid is sourced from PubChem (CID 66652406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).