1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol

C15H20F2O — CID 65147733

IUPAC1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C15H20F2O/c1-2-11-6-8-15(18,9-7-11)10-12-4-3-5-13(16)14(12)17/h3-5,11,18H,2,6-10H2,1H3
InChIKeyMHZGIZJGVOEUSV-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.84
Rot. Bonds3

About 1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol

1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65147733) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
PubChem CID65147733
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(Cc2cccc(F)c2F)CC1
InChIInChI=1S/C15H20F2O/c1-2-11-6-8-15(18,9-7-11)10-12-4-3-5-13(16)14(12)17/h3-5,11,18H,2,6-10H2,1H3
InChIKeyMHZGIZJGVOEUSV-UHFFFAOYSA-N
XLogP3.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 104792990
4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65085739
4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cycloheptan-1-ol
CID 104793164
4-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-4-ol
CID 65147067
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
3-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclopentan-1-ol
CID 113453697
1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147432
1-[(2,3-difluorophenyl)methyl]-2-ethylcyclohexan-1-ol
CID 65149328
3-[(2,3-difluorophenyl)methyl]-8-thiabicyclo[3.2.1]octan-3-ol
CID 171961736
4-[(2,3-difluorophenyl)methyl]azepan-4-ol
CID 103982867
3-[(2,3-difluorophenyl)methyl]-5-methylthiolan-3-ol
CID 79949457
1-[(2,3-difluorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65423548

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol (CID 65147733) is 1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(Cc2cccc(F)c2F)CC1.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is MHZGIZJGVOEUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-2-11-6-8-15(18,9-7-11)10-12-4-3-5-13(16)14(12)17/h3-5,11,18H,2,6-10H2,1H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 254.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65147733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).