1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C18H26ClFO — CID 63406990

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H26ClFO/c1-4-17(2,3)13-8-10-18(21,11-9-13)12-14-15(19)6-5-7-16(14)20/h5-7,13,21H,4,8-12H2,1-3H3
InChIKeyAWBUTRICIPHUHJ-UHFFFAOYSA-N
MW312.86 g/mol
LogP5.38
Rot. Bonds4

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 63406990) has the molecular formula C18H26ClFO and a molecular weight of 312.86 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID63406990
Molecular FormulaC18H26ClFO
Molecular Weight312.86 g/mol
Exact Mass312.17
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C18H26ClFO/c1-4-17(2,3)13-8-10-18(21,11-9-13)12-14-15(19)6-5-7-16(14)20/h5-7,13,21H,4,8-12H2,1-3H3
InChIKeyAWBUTRICIPHUHJ-UHFFFAOYSA-N
XLogP5.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.86
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55188464
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090912
4-tert-butyl-1-[(2,6-dichlorophenyl)methyl]cycloheptan-1-ol
CID 65151667
4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
CID 62786575
1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 115983401
1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 83171605
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcyclohexane-1-carboxylic acid
CID 65425291
2-(2-aminopropan-2-yl)-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexan-1-ol
CID 19862215
1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 114931035
4-tert-butyl-1-[(2,5-dichlorophenyl)methyl]cyclohexan-1-ol
CID 65316707
[4-butyl-1-[(2-chloro-6-fluorophenyl)methyl]cyclohexyl]methanol
CID 66026724
1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 65147375

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 63406990) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is AWBUTRICIPHUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClFO/c1-4-17(2,3)13-8-10-18(21,11-9-13)12-14-15(19)6-5-7-16(14)20/h5-7,13,21H,4,8-12H2,1-3H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 312.86 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 63406990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).