ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate

C15H17FO3 — CID 129140658

IUPACethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(c2cc(F)ccc2O)CC1
InChIInChI=1S/C15H17FO3/c1-2-19-15(18)11-5-3-10(4-6-11)13-9-12(16)7-8-14(13)17/h3,7-9,11,17H,2,4-6H2,1H3
InChIKeyGFBDXCKNGLIWKJ-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.28
Rot. Bonds3

About ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate

ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate (PubChem CID 129140658) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate
PubChem CID129140658
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Nameethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(c2cc(F)ccc2O)CC1
InChIInChI=1S/C15H17FO3/c1-2-19-15(18)11-5-3-10(4-6-11)13-9-12(16)7-8-14(13)17/h3,7-9,11,17H,2,4-6H2,1H3
InChIKeyGFBDXCKNGLIWKJ-UHFFFAOYSA-N
XLogP3.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate 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

ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 58485013
ethyl 4-(3-chloro-4-fluorophenyl)cyclohex-3-ene-1-carboxylate
CID 67057759
ethyl 4-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxylate
CID 177244801
ethyl (1S)-4-(2-amino-3-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 67443876
ethyl (1R)-4-pyrimidin-2-ylcyclohex-3-ene-1-carboxylate
CID 129392349
ethyl 4-(4-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 58485050
ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate
CID 90182158
ethyl 4-(3-nitrophenyl)cyclohex-3-ene-1-carboxylate
CID 58801072
ethyl (1S)-4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 67445034
ethyl (1R)-4-(trideuteriomethyl)cyclohex-3-ene-1-carboxylate
CID 175763412
ethyl (1R)-4-(2-ethoxy-2-oxoethyl)cyclohex-3-ene-1-carboxylate
CID 97177704
2-(4-aminoquinazolin-2-yl)-4-fluorophenol;ethyl pyrrolidine-3-carboxylate
CID 143796166

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate (CID 129140658) is ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate is CCOC(=O)C1CC=C(c2cc(F)ccc2O)CC1.
What is the InChIKey of ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate?
The InChIKey is GFBDXCKNGLIWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c1-2-19-15(18)11-5-3-10(4-6-11)13-9-12(16)7-8-14(13)17/h3,7-9,11,17H,2,4-6H2,1H3.
What are the key properties of ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate?
ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate has a molecular weight of 264.30 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 129140658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).