(2-methoxyphenyl)methyl cyclopentanecarboxylate

C14H18O3 — CID 78760103

IUPAC(2-methoxyphenyl)methyl cyclopentanecarboxylate
SMILESCOc1ccccc1COC(=O)C1CCCC1
InChIInChI=1S/C14H18O3/c1-16-13-9-5-4-8-12(13)10-17-14(15)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3
InChIKeyXBXFNVAGFKNMOS-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.93
Rot. Bonds4

About (2-methoxyphenyl)methyl cyclopentanecarboxylate

(2-methoxyphenyl)methyl cyclopentanecarboxylate (PubChem CID 78760103) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2-methoxyphenyl)methyl cyclopentanecarboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl)methyl cyclopentanecarboxylate
PubChem CID78760103
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name(2-methoxyphenyl)methyl cyclopentanecarboxylate
SMILESCOc1ccccc1COC(=O)C1CCCC1
InChIInChI=1S/C14H18O3/c1-16-13-9-5-4-8-12(13)10-17-14(15)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3
InChIKeyXBXFNVAGFKNMOS-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-methoxyphenyl)methyl cyclopentanecarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclobutyl-2-(2-methoxyphenyl)ethanone
CID 61079535
[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 8019538
[2-(2-methoxyanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2364845
bis[(2-acetylphenyl)methyl] cyclohexane-1,3-dicarboxylate
CID 54538839
cyclopentyl-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398973
(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
CID 174456641
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
2-[2-(cyclohexanecarbonyloxy)phenyl]acetic acid
CID 172567319
(2-methoxyphenyl)methyl 2-[[1-[(2-methoxyphenyl)methoxy]-1-oxopropan-2-yl]disulfanyl]propanoate
CID 22418608
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759
2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide
CID 71910234
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)methyl cyclopentanecarboxylate?
The IUPAC name of (2-methoxyphenyl)methyl cyclopentanecarboxylate (CID 78760103) is (2-methoxyphenyl)methyl cyclopentanecarboxylate.
What is the SMILES notation for (2-methoxyphenyl)methyl cyclopentanecarboxylate?
The canonical SMILES for (2-methoxyphenyl)methyl cyclopentanecarboxylate is COc1ccccc1COC(=O)C1CCCC1.
What is the InChIKey of (2-methoxyphenyl)methyl cyclopentanecarboxylate?
The InChIKey is XBXFNVAGFKNMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-16-13-9-5-4-8-12(13)10-17-14(15)11-6-2-3-7-11/h4-5,8-9,11H,2-3,6-7,10H2,1H3.
What are the key properties of (2-methoxyphenyl)methyl cyclopentanecarboxylate?
(2-methoxyphenyl)methyl cyclopentanecarboxylate has a molecular weight of 234.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)methyl cyclopentanecarboxylate is sourced from PubChem (CID 78760103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).