1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol

C16H22F2O2 — CID 105083584

IUPAC1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)C1CCC(F)(F)CC1
InChIInChI=1S/C16H22F2O2/c1-11-3-4-15(20-2)13(9-11)10-14(19)12-5-7-16(17,18)8-6-12/h3-4,9,12,14,19H,5-8,10H2,1-2H3
InChIKeyOZMNNIQVDSKDHI-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.73
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol

1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol (PubChem CID 105083584) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
PubChem CID105083584
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
SMILESCOc1ccc(C)cc1CC(O)C1CCC(F)(F)CC1
InChIInChI=1S/C16H22F2O2/c1-11-3-4-15(20-2)13(9-11)10-14(19)12-5-7-16(17,18)8-6-12/h3-4,9,12,14,19H,5-8,10H2,1-2H3
InChIKeyOZMNNIQVDSKDHI-UHFFFAOYSA-N
XLogP3.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(2-methoxy-5-methylphenyl)ethanol
CID 64987117
2-(2-methoxy-5-methylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 62159658
1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 105125713
1-(3-bicyclo[3.1.0]hexanyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 115781398
1-(3-ethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65401725
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 65391424
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105088370
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
2-(2-methoxy-5-methylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63078954
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 64986723
(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
CID 105131631

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol (CID 105083584) is 1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol is COc1ccc(C)cc1CC(O)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol?
The InChIKey is OZMNNIQVDSKDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O2/c1-11-3-4-15(20-2)13(9-11)10-14(19)12-5-7-16(17,18)8-6-12/h3-4,9,12,14,19H,5-8,10H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol?
1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol has a molecular weight of 284.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 105083584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).