ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate

C18H25FO5 — CID 129176513

IUPACethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(O[C@@H](CO)c2cc(F)ccc2OC)CC1
InChIInChI=1S/C18H25FO5/c1-3-23-18(21)12-4-7-14(8-5-12)24-17(11-20)15-10-13(19)6-9-16(15)22-2/h6,9-10,12,14,17,20H,3-5,7-8,11H2,1-2H3/t12?,14?,17-/m0/s1
InChIKeyRXYRALLHUFMXML-AJUCZRQESA-N
MW340.39 g/mol
LogP3.01
Rot. Bonds7

About ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate

ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate (PubChem CID 129176513) has the molecular formula C18H25FO5 and a molecular weight of 340.39 g/mol. Its IUPAC name is ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate
PubChem CID129176513
Molecular FormulaC18H25FO5
Molecular Weight340.39 g/mol
Exact Mass340.17
IUPAC Nameethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(O[C@@H](CO)c2cc(F)ccc2OC)CC1
InChIInChI=1S/C18H25FO5/c1-3-23-18(21)12-4-7-14(8-5-12)24-17(11-20)15-10-13(19)6-9-16(15)22-2/h6,9-10,12,14,17,20H,3-5,7-8,11H2,1-2H3/t12?,14?,17-/m0/s1
InChIKeyRXYRALLHUFMXML-AJUCZRQESA-N
XLogP3.01
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate with MolForge

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Related Compounds

ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
4-[[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]methyl]cyclohexan-1-one
CID 130433786
ethyl (3R)-3-amino-2-fluoro-3-(5-fluoro-2-methoxyphenyl)propanoate
CID 171241430
2-(5-fluoro-2-methoxyphenyl)propane-1,3-diol
CID 82112362
ethyl 4-(2-amino-4-fluoroanilino)cyclohexane-1-carboxylate
CID 67213320
4-amino-4-(5-fluoro-2-methoxyphenyl)butan-2-one
CID 116940506
ethyl 4-[8-(5-fluoro-2-methoxyphenyl)-1,7-naphthyridin-6-yl]cyclohexane-1-carboxylate
CID 24738670
1,2-difluorobenzene;ethyl cyclopropanecarboxylate
CID 145194547
ethyl 1-[(2-methoxy-5-methylphenyl)methyl]piperidine-4-carboxylate
CID 60670285
2-(3-ethoxycyclobutyl)-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 103162733
ethyl 1-[1-(3,4-dimethoxyphenyl)propan-2-yl]piperidine-4-carboxylate
CID 23960975
2-(5-fluoro-2-methoxyphenyl)-2-pyrrolidin-1-ylethanol
CID 116860302

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate (CID 129176513) is ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(O[C@@H](CO)c2cc(F)ccc2OC)CC1.
What is the InChIKey of ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate?
The InChIKey is RXYRALLHUFMXML-AJUCZRQESA-N. The full InChI is InChI=1S/C18H25FO5/c1-3-23-18(21)12-4-7-14(8-5-12)24-17(11-20)15-10-13(19)6-9-16(15)22-2/h6,9-10,12,14,17,20H,3-5,7-8,11H2,1-2H3/t12?,14?,17-/m0/s1.
What are the key properties of ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate?
ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate has a molecular weight of 340.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1R)-1-(5-fluoro-2-methoxyphenyl)-2-hydroxyethoxy]cyclohexane-1-carboxylate is sourced from PubChem (CID 129176513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).