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

C15H20F2O — CID 62197513

IUPAC1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C15H20F2O/c1-2-11-5-7-15(18,8-6-11)10-12-3-4-13(16)9-14(12)17/h3-4,9,11,18H,2,5-8,10H2,1H3
InChIKeyGJNLTCZUEXCMOY-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.84
Rot. Bonds3

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

1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 62197513) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
PubChem CID62197513
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C15H20F2O/c1-2-11-5-7-15(18,8-6-11)10-12-3-4-13(16)9-14(12)17/h3-4,9,11,18H,2,5-8,10H2,1H3
InChIKeyGJNLTCZUEXCMOY-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

1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64513612
1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147432
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65394534
4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65085739
1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 55186945
1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147733
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65151856
4-ethyl-1-[(2-fluoro-3-methoxyphenyl)methyl]cyclohexan-1-ol
CID 104792990
1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151861
1-[2-(4-ethylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610850
1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449843
1-[(2,5-difluorophenyl)methyl]-4-ethylcyclohexane-1-carbonitrile
CID 65392862

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol (CID 62197513) is 1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is GJNLTCZUEXCMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-2-11-5-7-15(18,8-6-11)10-12-3-4-13(16)9-14(12)17/h3-4,9,11,18H,2,5-8,10H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
1-[(2,4-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-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 62197513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).