2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol

C16H22ClFO — CID 105395953

IUPAC2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2cc(F)ccc2Cl)C(O)C1
InChIInChI=1S/C16H22ClFO/c1-10-4-6-12(15(19)8-10)16(2,3)13-9-11(18)5-7-14(13)17/h5,7,9-10,12,15,19H,4,6,8H2,1-3H3
InChIKeyIFRVIOWGTRTUAX-UHFFFAOYSA-N
MW284.80 g/mol
LogP4.55
Rot. Bonds2

About 2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol

2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol (PubChem CID 105395953) has the molecular formula C16H22ClFO and a molecular weight of 284.80 g/mol. Its IUPAC name is 2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol
PubChem CID105395953
Molecular FormulaC16H22ClFO
Molecular Weight284.80 g/mol
Exact Mass284.13
IUPAC Name2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol
SMILESCC1CCC(C(C)(C)c2cc(F)ccc2Cl)C(O)C1
InChIInChI=1S/C16H22ClFO/c1-10-4-6-12(15(19)8-10)16(2,3)13-9-11(18)5-7-14(13)17/h5,7,9-10,12,15,19H,4,6,8H2,1-3H3
InChIKeyIFRVIOWGTRTUAX-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.80
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(3,4-difluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 64767577
1-[2-(2-bromo-4-methylcyclohexyl)propan-2-yl]-4-fluoro-2-methylbenzene
CID 64766985
(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 70236087
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
CID 174940939
carbonochloridic acid;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 86756445
(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 68635053
(1S,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 92529738
2-(2-chloro-5-fluorophenyl)-N-methylpropan-2-amine
CID 83686715
2-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114665077
1-(2-chloro-5-fluorophenyl)-1-cyclohexylethanamine
CID 164667498
2-[2-(5-chloro-1-benzofuran-2-yl)propan-2-yl]-5-methylcyclohexan-1-ol
CID 114733757

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The IUPAC name of 2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol (CID 105395953) is 2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol.
What is the SMILES notation for 2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The canonical SMILES for 2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol is CC1CCC(C(C)(C)c2cc(F)ccc2Cl)C(O)C1.
What is the InChIKey of 2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
The InChIKey is IFRVIOWGTRTUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFO/c1-10-4-6-12(15(19)8-10)16(2,3)13-9-11(18)5-7-14(13)17/h5,7,9-10,12,15,19H,4,6,8H2,1-3H3.
What are the key properties of 2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol?
2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol has a molecular weight of 284.80 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-5-fluorophenyl)propan-2-yl]-5-methylcyclohexan-1-ol is sourced from PubChem (CID 105395953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).