2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol

C19H28O2 — CID 102654604

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(O)C1=CCCCO1
InChIInChI=1S/C19H28O2/c1-13-10-15(19(3,4)5)11-14(2)16(13)12-17(20)18-8-6-7-9-21-18/h8,10-11,17,20H,6-7,9,12H2,1-5H3
InChIKeyCWYZHFCFQCAAMZ-UHFFFAOYSA-N
MW288.43 g/mol
LogP4.20
Rot. Bonds3

About 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol

2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol (PubChem CID 102654604) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
PubChem CID102654604
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
SMILESCc1cc(C(C)(C)C)cc(C)c1CC(O)C1=CCCCO1
InChIInChI=1S/C19H28O2/c1-13-10-15(19(3,4)5)11-14(2)16(13)12-17(20)18-8-6-7-9-21-18/h8,10-11,17,20H,6-7,9,12H2,1-5H3
InChIKeyCWYZHFCFQCAAMZ-UHFFFAOYSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)nonan-1-ol
CID 102649817
1-(3,4-dihydro-2H-pyran-6-yl)octan-1-ol
CID 102646548
(4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102646462
2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102646790
1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol
CID 102649751
1-(2,3-dihydrofuran-5-yl)-2-(3-methylphenyl)ethanol
CID 102653915
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 102654733
1-(4-tert-butyl-2,6-dimethylphenyl)butan-2-ol
CID 60798417
(4-butylcyclohexyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102649753
2-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
CID 102646644
1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol
CID 102649671
(1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
CID 102654858

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol (CID 102654604) is 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol is Cc1cc(C(C)(C)C)cc(C)c1CC(O)C1=CCCCO1.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol?
The InChIKey is CWYZHFCFQCAAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-13-10-15(19(3,4)5)11-14(2)16(13)12-17(20)18-8-6-7-9-21-18/h8,10-11,17,20H,6-7,9,12H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol?
2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol has a molecular weight of 288.43 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol is sourced from PubChem (CID 102654604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).