ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate

C18H25FO3 — CID 171653604

IUPACethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1cc(F)c(C(=O)OC)c(OC2CCCC2)c1.CC
InChIInChI=1S/C16H19FO3.C2H6/c1-10(2)11-8-13(17)15(16(18)19-3)14(9-11)20-12-6-4-5-7-12;1-2/h8-9,12H,1,4-7H2,2-3H3;1-2H3
InChIKeyFBBAJLPXFBPIMS-UHFFFAOYSA-N
MW308.39 g/mol
LogP4.99
Rot. Bonds4

About ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate

ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate (PubChem CID 171653604) has the molecular formula C18H25FO3 and a molecular weight of 308.39 g/mol. Its IUPAC name is ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate.

Molecular Properties

Compound Nameethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate
PubChem CID171653604
Molecular FormulaC18H25FO3
Molecular Weight308.39 g/mol
Exact Mass308.18
IUPAC Nameethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate
SMILESC=C(C)c1cc(F)c(C(=O)OC)c(OC2CCCC2)c1.CC
InChIInChI=1S/C16H19FO3.C2H6/c1-10(2)11-8-13(17)15(16(18)19-3)14(9-11)20-12-6-4-5-7-12;1-2/h8-9,12H,1,4-7H2,2-3H3;1-2H3
InChIKeyFBBAJLPXFBPIMS-UHFFFAOYSA-N
XLogP4.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate 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

ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
methyl 3-cyclopropyloxy-4-prop-1-en-2-ylbenzoate
CID 167708846
methyl 2-amino-4-(cyclopentylamino)-6-fluorobenzoate
CID 138697108
methyl 2-fluoro-4-prop-1-en-2-ylbenzoate
CID 171572331
methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate
CID 86891052
ethane;methyl 4-[cyclobutyl(2,2-dimethylpropanoyl)amino]-3-fluoro-5-methoxybenzoate
CID 144575126
ethane;methyl 2-cyclopentyloxy-4-methylpyridine-3-carboxylate
CID 144628092
methyl 3-bromo-4-cyclobutyloxybenzoate
CID 18782514
methyl 2-cyclohexyloxybenzoate
CID 11345342
5-cyclopentyloxy-2-fluoro-4-methoxybenzoic acid
CID 22145848
[1-(3-cyclopentyloxy-4-methoxyphenyl)ethenylamino] methyl carbonate
CID 57237577
N-[3-(5-fluoro-2-prop-1-en-2-ylphenoxy)cyclohexyl]prop-2-enamide
CID 176701236

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate?
The IUPAC name of ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate (CID 171653604) is ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate.
What is the SMILES notation for ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate?
The canonical SMILES for ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate is C=C(C)c1cc(F)c(C(=O)OC)c(OC2CCCC2)c1.CC.
What is the InChIKey of ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate?
The InChIKey is FBBAJLPXFBPIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO3.C2H6/c1-10(2)11-8-13(17)15(16(18)19-3)14(9-11)20-12-6-4-5-7-12;1-2/h8-9,12H,1,4-7H2,2-3H3;1-2H3.
What are the key properties of ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate?
ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate has a molecular weight of 308.39 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-cyclopentyloxy-6-fluoro-4-prop-1-en-2-ylbenzoate is sourced from PubChem (CID 171653604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).