1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol

C16H22ClFO — CID 55188464

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H22ClFO/c1-11(2)12-6-8-16(19,9-7-12)10-13-14(17)4-3-5-15(13)18/h3-5,11-12,19H,6-10H2,1-2H3
InChIKeyGIVNYQZXQCFBKZ-UHFFFAOYSA-N
MW284.80 g/mol
LogP4.60
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol

1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 55188464) has the molecular formula C16H22ClFO and a molecular weight of 284.80 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
PubChem CID55188464
Molecular FormulaC16H22ClFO
Molecular Weight284.80 g/mol
Exact Mass284.13
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C16H22ClFO/c1-11(2)12-6-8-16(19,9-7-12)10-13-14(17)4-3-5-15(13)18/h3-5,11-12,19H,6-10H2,1-2H3
InChIKeyGIVNYQZXQCFBKZ-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63406990
1-[(2-chloro-6-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65090912
4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
CID 62786575
1-[(2,6-difluorophenyl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 114931035
1,3-difluoro-2-[(1-methoxy-4-propan-2-ylcyclohexyl)methyl]benzene
CID 21025337
1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 67421202
N-[1-[1-[(2-chloro-6-fluorophenyl)methyl]cyclopropyl]ethyl]propan-1-amine
CID 106797913
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol (CID 55188464) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is GIVNYQZXQCFBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFO/c1-11(2)12-6-8-16(19,9-7-12)10-13-14(17)4-3-5-15(13)18/h3-5,11-12,19H,6-10H2,1-2H3.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol?
1-[(2-chloro-6-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 284.80 g/mol, XLogP of 4.60, 3 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-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 55188464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).