1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol

C16H22F2O — CID 55186945

IUPAC1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C16H22F2O/c1-2-3-12-6-8-16(19,9-7-12)11-13-10-14(17)4-5-15(13)18/h4-5,10,12,19H,2-3,6-9,11H2,1H3
InChIKeyAMIUBJCMADIJIV-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.23
Rot. Bonds4

About 1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol

1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol (PubChem CID 55186945) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol
PubChem CID55186945
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C16H22F2O/c1-2-3-12-6-8-16(19,9-7-12)11-13-10-14(17)4-5-15(13)18/h4-5,10,12,19H,2-3,6-9,11H2,1H3
InChIKeyAMIUBJCMADIJIV-UHFFFAOYSA-N
XLogP4.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65425034
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151861
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65151856
1-[(5-fluoro-2-methylphenyl)methyl]-4-propylcyclohexan-1-amine
CID 105373056
1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64513612
1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407677
1-[(2,4-difluorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65423928
1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 65147531
3-[(2,5-difluorophenyl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol
CID 171961687
1-[(2,3-dichlorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 107307327
1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147432

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol (CID 55186945) is 1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)(Cc2cc(F)ccc2F)CC1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol?
The InChIKey is AMIUBJCMADIJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O/c1-2-3-12-6-8-16(19,9-7-12)11-13-10-14(17)4-5-15(13)18/h4-5,10,12,19H,2-3,6-9,11H2,1H3.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol?
1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol has a molecular weight of 268.35 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 55186945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).