3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol

C19H30O2 — CID 115999419

IUPAC3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol
SMILESCC(C)Oc1ccccc1C1(O)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C19H30O2/c1-14(2)21-16-10-8-7-9-15(16)19(20)12-17(3,4)11-18(5,6)13-19/h7-10,14,20H,11-13H2,1-6H3
InChIKeyLMBMKWHTQPDEPB-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.90
Rot. Bonds3

About 3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol

3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol (PubChem CID 115999419) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol
PubChem CID115999419
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol
SMILESCC(C)Oc1ccccc1C1(O)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C19H30O2/c1-14(2)21-16-10-8-7-9-15(16)19(20)12-17(3,4)11-18(5,6)13-19/h7-10,14,20H,11-13H2,1-6H3
InChIKeyLMBMKWHTQPDEPB-UHFFFAOYSA-N
XLogP4.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-propan-2-yloxyphenyl)cyclobutan-1-ol
CID 103564580
3,3-dimethyl-1-[2-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 80699709
3-(2-methoxyphenyl)-5,5-dimethylthian-3-ol
CID 79946466
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954961
1-[2-(difluoromethoxy)phenyl]cyclopropan-1-ol
CID 117289125
1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090264
1-(3-bromo-2-fluorophenyl)-3,3,5,5-tetramethylcyclohexan-1-ol
CID 106644568
1-(2-methoxyphenyl)-3,3-dimethylcyclobutane-1-carboxylic acid
CID 65000873
1-(2-fluoro-3-methoxyphenyl)-3,3-dimethylcyclopentan-1-ol
CID 82805652
(1R)-1-(2-fluorophenyl)-3,3-dimethylcyclopentan-1-ol
CID 124512737
1-(2-methoxyphenyl)-4-methylcyclohexan-1-ol
CID 60794785
(2-propan-2-yloxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115823724

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol?
The IUPAC name of 3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol (CID 115999419) is 3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol is CC(C)Oc1ccccc1C1(O)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol?
The InChIKey is LMBMKWHTQPDEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-14(2)21-16-10-8-7-9-15(16)19(20)12-17(3,4)11-18(5,6)13-19/h7-10,14,20H,11-13H2,1-6H3.
What are the key properties of 3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol?
3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol has a molecular weight of 290.45 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-(2-propan-2-yloxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 115999419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).