(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol

C16H23FO2 — CID 116754846

IUPAC(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
SMILESCCOC1(C(O)c2ccc(F)cc2)CCC(C)CC1
InChIInChI=1S/C16H23FO2/c1-3-19-16(10-8-12(2)9-11-16)15(18)13-4-6-14(17)7-5-13/h4-7,12,15,18H,3,8-11H2,1-2H3
InChIKeyIAHJZNJODJYWML-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.84
Rot. Bonds4

About (1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol

(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol (PubChem CID 116754846) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is (1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
PubChem CID116754846
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol
SMILESCCOC1(C(O)c2ccc(F)cc2)CCC(C)CC1
InChIInChI=1S/C16H23FO2/c1-3-19-16(10-8-12(2)9-11-16)15(18)13-4-6-14(17)7-5-13/h4-7,12,15,18H,3,8-11H2,1-2H3
InChIKeyIAHJZNJODJYWML-UHFFFAOYSA-N
XLogP3.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754621
(1-ethoxy-4-methylcyclohexyl)-(3-ethoxyphenyl)methanol
CID 116754822
1-(1-ethoxy-4-methylcyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373590
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine
CID 116766963
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 116754724
1-(1-ethoxy-3-methylcyclohexyl)-2-(4-fluorophenyl)ethanol
CID 116755215
(1-ethoxycyclopentyl)-(4-methylphenyl)methanol
CID 116753072
(4-chlorophenyl)-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755230
(1-ethoxy-4-methylcyclohexyl)-(4-methyl-3-pyridinyl)methanol
CID 116754837
(4-cyclopropyloxyphenyl)-(4-ethoxyoxan-4-yl)methanol
CID 114519169
(2-chloro-5-fluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methanamine
CID 105395547
[(3,4-difluorophenyl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277308

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol?
The IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol (CID 116754846) is (1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol.
What is the SMILES notation for (1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol?
The canonical SMILES for (1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol is CCOC1(C(O)c2ccc(F)cc2)CCC(C)CC1.
What is the InChIKey of (1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol?
The InChIKey is IAHJZNJODJYWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-3-19-16(10-8-12(2)9-11-16)15(18)13-4-6-14(17)7-5-13/h4-7,12,15,18H,3,8-11H2,1-2H3.
What are the key properties of (1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol?
(1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol has a molecular weight of 266.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-methylcyclohexyl)-(4-fluorophenyl)methanol is sourced from PubChem (CID 116754846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).