4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol

C16H21F3O2 — CID 63407060

IUPAC4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
SMILESCC(C)C1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C16H21F3O2/c1-11(2)12-6-8-15(20,9-7-12)13-4-3-5-14(10-13)21-16(17,18)19/h3-5,10-12,20H,6-9H2,1-2H3
InChIKeyFDWSJYPUSOUPFQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP4.62
Rot. Bonds3

About 4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol

4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol (PubChem CID 63407060) has the molecular formula C16H21F3O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
PubChem CID63407060
Molecular FormulaC16H21F3O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
SMILESCC(C)C1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C16H21F3O2/c1-11(2)12-6-8-15(20,9-7-12)13-4-3-5-14(10-13)21-16(17,18)19/h3-5,10-12,20H,6-9H2,1-2H3
InChIKeyFDWSJYPUSOUPFQ-UHFFFAOYSA-N
XLogP4.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(trifluoromethoxy)phenyl]oxepan-4-ol
CID 65079305
4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxylic acid
CID 23149910
1-[2-(4-propan-2-ylcyclohexyl)-1-[3-(trifluoromethoxy)phenyl]ethyl]cyclohexan-1-ol
CID 143036674
7-[3-(trifluoromethoxy)phenyl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963403
1-(4-methoxyphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 55105917
9-methyl-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171959680
N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline
CID 64917318
1-(4-methylphenyl)-4-propan-2-ylcyclohexan-1-ol
CID 63406811
3-[4-hydroxy-4-[3-(trifluoromethoxy)phenyl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 133497718
2-(dimethylamino)-6-hydroxy-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-one;hydrochloride
CID 153349122
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643
2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 115854106

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The IUPAC name of 4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol (CID 63407060) is 4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol is CC(C)C1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
The InChIKey is FDWSJYPUSOUPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O2/c1-11(2)12-6-8-15(20,9-7-12)13-4-3-5-14(10-13)21-16(17,18)19/h3-5,10-12,20H,6-9H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol?
4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol has a molecular weight of 302.34 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 63407060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).