[1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate

C19H27FO3 — CID 142400369

IUPAC[1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate
SMILESCCC(=O)OC(C)C(c1ccc(F)cc1OC)C1CCCCC1
InChIInChI=1S/C19H27FO3/c1-4-18(21)23-13(2)19(14-8-6-5-7-9-14)16-11-10-15(20)12-17(16)22-3/h10-14,19H,4-9H2,1-3H3
InChIKeyJXBLPWSALZPQCS-UHFFFAOYSA-N
MW322.42 g/mol
LogP4.84
Rot. Bonds6

About [1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate

[1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate (PubChem CID 142400369) has the molecular formula C19H27FO3 and a molecular weight of 322.42 g/mol. Its IUPAC name is [1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate.

Molecular Properties

Compound Name[1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate
PubChem CID142400369
Molecular FormulaC19H27FO3
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name[1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate
SMILESCCC(=O)OC(C)C(c1ccc(F)cc1OC)C1CCCCC1
InChIInChI=1S/C19H27FO3/c1-4-18(21)23-13(2)19(14-8-6-5-7-9-14)16-11-10-15(20)12-17(16)22-3/h10-14,19H,4-9H2,1-3H3
InChIKeyJXBLPWSALZPQCS-UHFFFAOYSA-N
XLogP4.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate?
The IUPAC name of [1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate (CID 142400369) is [1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate.
What is the SMILES notation for [1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate?
The canonical SMILES for [1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate is CCC(=O)OC(C)C(c1ccc(F)cc1OC)C1CCCCC1.
What is the InChIKey of [1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate?
The InChIKey is JXBLPWSALZPQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FO3/c1-4-18(21)23-13(2)19(14-8-6-5-7-9-14)16-11-10-15(20)12-17(16)22-3/h10-14,19H,4-9H2,1-3H3.
What are the key properties of [1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate?
[1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate has a molecular weight of 322.42 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclohexyl-1-(4-fluoro-2-methoxyphenyl)propan-2-yl] propanoate is sourced from PubChem (CID 142400369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).