2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol

C16H23FO2 — CID 104793177

IUPAC2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol
SMILESCOc1cccc(CC(O)C2CCC(C)CC2)c1F
InChIInChI=1S/C16H23FO2/c1-11-6-8-12(9-7-11)14(18)10-13-4-3-5-15(19-2)16(13)17/h3-5,11-12,14,18H,6-10H2,1-2H3
InChIKeyQGOGXVOFRQRDNF-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.56
Rot. Bonds4

About 2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol

2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol (PubChem CID 104793177) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol
PubChem CID104793177
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol
SMILESCOc1cccc(CC(O)C2CCC(C)CC2)c1F
InChIInChI=1S/C16H23FO2/c1-11-6-8-12(9-7-11)14(18)10-13-4-3-5-15(19-2)16(13)17/h3-5,11-12,14,18H,6-10H2,1-2H3
InChIKeyQGOGXVOFRQRDNF-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 105125713
1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 103456969
[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210747
2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol
CID 82802497
2-(2-methoxy-5-methylphenyl)-1-(4-methylcyclohexyl)ethanol
CID 62159658
3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800224
1-[(2-fluoro-3-methoxyphenyl)methyl]-2,5-dimethylcyclohexan-1-ol
CID 104793153
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601
1-(4-methylcyclohexyl)-2-naphthalen-1-ylethanol
CID 63411216
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylcyclohexan-1-ol
CID 113453825

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol?
The IUPAC name of 2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol (CID 104793177) is 2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol is COc1cccc(CC(O)C2CCC(C)CC2)c1F.
What is the InChIKey of 2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol?
The InChIKey is QGOGXVOFRQRDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-11-6-8-12(9-7-11)14(18)10-13-4-3-5-15(19-2)16(13)17/h3-5,11-12,14,18H,6-10H2,1-2H3.
What are the key properties of 2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol?
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol has a molecular weight of 266.36 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol is sourced from PubChem (CID 104793177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).