(1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate

C16H20O3 — CID 170048804

IUPAC(1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate
SMILESC=Cc1ccc(C(=O)OC2(C)CCCC2)c(OC)c1
InChIInChI=1S/C16H20O3/c1-4-12-7-8-13(14(11-12)18-3)15(17)19-16(2)9-5-6-10-16/h4,7-8,11H,1,5-6,9-10H2,2-3H3
InChIKeyKQCHKZSORFQQMK-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.83
Rot. Bonds4

About (1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate

(1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate (PubChem CID 170048804) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate.

Molecular Properties

Compound Name(1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate
PubChem CID170048804
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate
SMILESC=Cc1ccc(C(=O)OC2(C)CCCC2)c(OC)c1
InChIInChI=1S/C16H20O3/c1-4-12-7-8-13(14(11-12)18-3)15(17)19-16(2)9-5-6-10-16/h4,7-8,11H,1,5-6,9-10H2,2-3H3
InChIKeyKQCHKZSORFQQMK-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate 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-methylcyclopentyl) 2-bromo-5-ethenylbenzoate
CID 176819971
(1-methylcyclopentyl) 2-ethenyl-5-iodobenzoate
CID 176819944
methyl 4-ethenyl-2-(4-ethenylbenzoyl)oxybenzoate
CID 141024991
4-ethenyl-1,2-dimethoxybenzene
CID 159733418
(1-prop-1-ynylcyclopentyl) 4-ethenyl-2-(hydroxymethyl)benzoate
CID 177132360
tert-butyl 5-ethenyl-2-methoxybenzoate
CID 155289029
ethyl 5-ethenyl-2-methoxybenzoate
CID 172649040
(1-methylcyclohex-2-en-1-yl) 5-ethenyl-2-hydroxybenzoate
CID 170137242
2-(1-methylcyclohexyl)oxycarbonylbenzoic acid
CID 11747408
[1-(4-fluorophenyl)cyclopentyl] 5-ethenyl-2-hydroxybenzoate
CID 164974517
1-ethenyl-4-(1-methylcyclopentyl)oxybenzene
CID 19350374
4-ethenyl-2-methoxyphenol;1-phenylethanone
CID 174742871

Frequently Asked Questions

What is the IUPAC name of (1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate?
The IUPAC name of (1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate (CID 170048804) is (1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate.
What is the SMILES notation for (1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate?
The canonical SMILES for (1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate is C=Cc1ccc(C(=O)OC2(C)CCCC2)c(OC)c1.
What is the InChIKey of (1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate?
The InChIKey is KQCHKZSORFQQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-4-12-7-8-13(14(11-12)18-3)15(17)19-16(2)9-5-6-10-16/h4,7-8,11H,1,5-6,9-10H2,2-3H3.
What are the key properties of (1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate?
(1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate has a molecular weight of 260.33 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylcyclopentyl) 4-ethenyl-2-methoxybenzoate is sourced from PubChem (CID 170048804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).