[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol

C15H21FO2 — CID 107690791

IUPAC[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol
SMILESCC1CC(C)CC(Oc2ccc(CO)cc2F)C1
InChIInChI=1S/C15H21FO2/c1-10-5-11(2)7-13(6-10)18-15-4-3-12(9-17)8-14(15)16/h3-4,8,10-11,13,17H,5-7,9H2,1-2H3
InChIKeyNMYGMQHVLPHMGH-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.52
Rot. Bonds3

About [4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol

[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol (PubChem CID 107690791) has the molecular formula C15H21FO2 and a molecular weight of 252.33 g/mol. Its IUPAC name is [4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol
PubChem CID107690791
Molecular FormulaC15H21FO2
Molecular Weight252.33 g/mol
Exact Mass252.15
IUPAC Name[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol
SMILESCC1CC(C)CC(Oc2ccc(CO)cc2F)C1
InChIInChI=1S/C15H21FO2/c1-10-5-11(2)7-13(6-10)18-15-4-3-12(9-17)8-14(15)16/h3-4,8,10-11,13,17H,5-7,9H2,1-2H3
InChIKeyNMYGMQHVLPHMGH-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol?
The IUPAC name of [4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol (CID 107690791) is [4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol.
What is the SMILES notation for [4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol?
The canonical SMILES for [4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol is CC1CC(C)CC(Oc2ccc(CO)cc2F)C1.
What is the InChIKey of [4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol?
The InChIKey is NMYGMQHVLPHMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2/c1-10-5-11(2)7-13(6-10)18-15-4-3-12(9-17)8-14(15)16/h3-4,8,10-11,13,17H,5-7,9H2,1-2H3.
What are the key properties of [4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol?
[4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol has a molecular weight of 252.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylcyclohexyl)oxy-3-fluorophenyl]methanol is sourced from PubChem (CID 107690791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).