[3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol

C14H18FNO2 — CID 105383338

IUPAC[3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol
SMILESCC1CC=CCC1COc1nccc(CO)c1F
InChIInChI=1S/C14H18FNO2/c1-10-4-2-3-5-12(10)9-18-14-13(15)11(8-17)6-7-16-14/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3
InChIKeyJOKLBGDVSVCTDM-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.69
Rot. Bonds4

About [3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol

[3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol (PubChem CID 105383338) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is [3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol
PubChem CID105383338
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name[3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol
SMILESCC1CC=CCC1COc1nccc(CO)c1F
InChIInChI=1S/C14H18FNO2/c1-10-4-2-3-5-12(10)9-18-14-13(15)11(8-17)6-7-16-14/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3
InChIKeyJOKLBGDVSVCTDM-UHFFFAOYSA-N
XLogP2.69
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol with MolForge

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Related Compounds

4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
CID 155241
(6-Phenoxypyridin-3-yl)methanol
CID 2776502
2-(Benzyloxy)pyridine
CID 295859
2-Hydroxymethyl-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine
CID 11229760
2-[(3-Fluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263327
2-[(2,4-Difluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263333
[4-(2-Phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol
CID 23723241
[2-(Cyclohexyloxy)pyridin-4-yl]methanamine
CID 16780874
B-[2-(Phenylmethoxy)-3-pyridinyl]boronic acid
CID 44755161
(6-(Benzyloxy)pyridin-3-yl)methanol
CID 59255139
2-[(2-Fluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263331
2-[(4-Fluorophenyl)methoxy]-3-methyl-4-(piperidin-4-yl)pyridine
CID 25263332

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol?
The IUPAC name of [3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol (CID 105383338) is [3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol.
What is the SMILES notation for [3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol?
The canonical SMILES for [3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol is CC1CC=CCC1COc1nccc(CO)c1F.
What is the InChIKey of [3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol?
The InChIKey is JOKLBGDVSVCTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10-4-2-3-5-12(10)9-18-14-13(15)11(8-17)6-7-16-14/h2-3,6-7,10,12,17H,4-5,8-9H2,1H3.
What are the key properties of [3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol?
[3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol has a molecular weight of 251.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[(6-methylcyclohex-3-en-1-yl)methoxy]-4-pyridinyl]methanol is sourced from PubChem (CID 105383338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).