[4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol

C14H20FNO2 — CID 134465849

IUPAC[4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol
SMILESCCOc1cc(C2CCC(CO)CC2)c(F)cn1
InChIInChI=1S/C14H20FNO2/c1-2-18-14-7-12(13(15)8-16-14)11-5-3-10(9-17)4-6-11/h7-8,10-11,17H,2-6,9H2,1H3
InChIKeyJVUQVARFIDEVPF-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.89
Rot. Bonds4

About [4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol

[4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol (PubChem CID 134465849) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is [4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol
PubChem CID134465849
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name[4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol
SMILESCCOc1cc(C2CCC(CO)CC2)c(F)cn1
InChIInChI=1S/C14H20FNO2/c1-2-18-14-7-12(13(15)8-16-14)11-5-3-10(9-17)4-6-11/h7-8,10-11,17H,2-6,9H2,1H3
InChIKeyJVUQVARFIDEVPF-UHFFFAOYSA-N
XLogP2.89
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol?
The IUPAC name of [4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol (CID 134465849) is [4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol.
What is the SMILES notation for [4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol?
The canonical SMILES for [4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol is CCOc1cc(C2CCC(CO)CC2)c(F)cn1.
What is the InChIKey of [4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol?
The InChIKey is JVUQVARFIDEVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-2-18-14-7-12(13(15)8-16-14)11-5-3-10(9-17)4-6-11/h7-8,10-11,17H,2-6,9H2,1H3.
What are the key properties of [4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol?
[4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol has a molecular weight of 253.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxy-5-fluoro-4-pyridinyl)cyclohexyl]methanol is sourced from PubChem (CID 134465849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).