1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol

C20H32O — CID 63410441

IUPAC1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(O)CC1CCCC1
InChIInChI=1S/C20H32O/c1-14-10-17(20(3,4)5)11-15(2)19(14)13-18(21)12-16-8-6-7-9-16/h10-11,16,18,21H,6-9,12-13H2,1-5H3
InChIKeyCPVDGKLVGUFZMF-UHFFFAOYSA-N
MW288.48 g/mol
LogP5.08
Rot. Bonds4

About 1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol

1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol (PubChem CID 63410441) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol
PubChem CID63410441
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(O)CC1CCCC1
InChIInChI=1S/C20H32O/c1-14-10-17(20(3,4)5)11-15(2)19(14)13-18(21)12-16-8-6-7-9-16/h10-11,16,18,21H,6-9,12-13H2,1-5H3
InChIKeyCPVDGKLVGUFZMF-UHFFFAOYSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol
CID 60798417
1-cyclopentyl-3-(3,5-dimethylphenyl)propan-2-ol
CID 62607509
1-(4-tert-butyl-2,6-dimethylphenyl)pentan-2-ol
CID 60797367
1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
CID 114458939
1-(4-tert-butyl-2,6-dimethylphenyl)hex-5-yn-2-ol
CID 63657471
1-cycloheptyl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 115829164
1-(4-tert-butyl-2,6-dimethylphenyl)-3-(1,3-thiazol-5-yl)propan-2-ol
CID 115979152
1-cyclopentyl-3-[4-methyl-3-(trifluoromethyl)anilino]propan-2-ol
CID 103157568
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol
CID 115832460
1-cyclohexyl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 63520008
1-cyclopentyl-7-methyloctane-2,5-diol
CID 103160953
1-(4-tert-butyl-2,6-dimethylphenyl)-3-methylbutan-2-amine
CID 60818626

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol?
The IUPAC name of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol (CID 63410441) is 1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol.
What is the SMILES notation for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol?
The canonical SMILES for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol is Cc1cc(C(C)(C)C)cc(C)c1CC(O)CC1CCCC1.
What is the InChIKey of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol?
The InChIKey is CPVDGKLVGUFZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-14-10-17(20(3,4)5)11-15(2)19(14)13-18(21)12-16-8-6-7-9-16/h10-11,16,18,21H,6-9,12-13H2,1-5H3.
What are the key properties of 1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol?
1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol has a molecular weight of 288.48 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-2,6-dimethylphenyl)-3-cyclopentylpropan-2-ol is sourced from PubChem (CID 63410441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).