[4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol

C14H20FNO3 — CID 134465991

IUPAC[4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol
SMILESCOc1cc(C2(OC)CCC(CO)CC2)c(F)cn1
InChIInChI=1S/C14H20FNO3/c1-18-13-7-11(12(15)8-16-13)14(19-2)5-3-10(9-17)4-6-14/h7-8,10,17H,3-6,9H2,1-2H3
InChIKeyKALWIHFLZMFBQO-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.25
Rot. Bonds4

About [4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol

[4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol (PubChem CID 134465991) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is [4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol.

Molecular Properties

Compound Name[4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol
PubChem CID134465991
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name[4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol
SMILESCOc1cc(C2(OC)CCC(CO)CC2)c(F)cn1
InChIInChI=1S/C14H20FNO3/c1-18-13-7-11(12(15)8-16-13)14(19-2)5-3-10(9-17)4-6-14/h7-8,10,17H,3-6,9H2,1-2H3
InChIKeyKALWIHFLZMFBQO-UHFFFAOYSA-N
XLogP2.25
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol?
The IUPAC name of [4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol (CID 134465991) is [4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol.
What is the SMILES notation for [4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol?
The canonical SMILES for [4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol is COc1cc(C2(OC)CCC(CO)CC2)c(F)cn1.
What is the InChIKey of [4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol?
The InChIKey is KALWIHFLZMFBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-18-13-7-11(12(15)8-16-13)14(19-2)5-3-10(9-17)4-6-14/h7-8,10,17H,3-6,9H2,1-2H3.
What are the key properties of [4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol?
[4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol has a molecular weight of 269.32 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-2-methoxy-4-pyridinyl)-4-methoxycyclohexyl]methanol is sourced from PubChem (CID 134465991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).