(4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol

C16H22O2 — CID 102646462

IUPAC(4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
SMILESCC(C)(C)c1ccc(C(O)C2=CCCCO2)cc1
InChIInChI=1S/C16H22O2/c1-16(2,3)13-9-7-12(8-10-13)15(17)14-6-4-5-11-18-14/h6-10,15,17H,4-5,11H2,1-3H3
InChIKeyUKVYLZUBUGSQGL-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.71
Rot. Bonds2

About (4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol

(4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol (PubChem CID 102646462) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
PubChem CID102646462
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol
SMILESCC(C)(C)c1ccc(C(O)C2=CCCCO2)cc1
InChIInChI=1S/C16H22O2/c1-16(2,3)13-9-7-12(8-10-13)15(17)14-6-4-5-11-18-14/h6-10,15,17H,4-5,11H2,1-3H3
InChIKeyUKVYLZUBUGSQGL-UHFFFAOYSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3,4-dihydro-2H-pyran-6-yl(hydroxy)methyl]benzonitrile
CID 114985464
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102646519
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-ol
CID 102654733
2,3-dihydrofuran-5-yl-(4-fluorophenyl)methanol
CID 102650533
3,4-dihydro-2H-pyran-6-yl-[3-(dimethylamino)phenyl]methanol
CID 102649826
2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanol
CID 102654604
1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutane-1,2-diol
CID 103456632
2,3-dihydrofuran-5-yl-(4-phenylphenyl)methanol
CID 102650545
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 102649042
(1S)-1-(3,4-dihydro-2H-pyran-6-yl)-2,2,2-trifluoroethanol
CID 102654858
3,4-dihydro-2H-pyran-6-yl-(3-methyl-2-pyridinyl)methanol
CID 102649860
2,3-dihydro-1,4-benzodioxin-5-yl(3,4-dihydro-2H-pyran-6-yl)methanol
CID 102649829

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
The IUPAC name of (4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol (CID 102646462) is (4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol.
What is the SMILES notation for (4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
The canonical SMILES for (4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol is CC(C)(C)c1ccc(C(O)C2=CCCCO2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
The InChIKey is UKVYLZUBUGSQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-16(2,3)13-9-7-12(8-10-13)15(17)14-6-4-5-11-18-14/h6-10,15,17H,4-5,11H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol?
(4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol has a molecular weight of 246.35 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(3,4-dihydro-2H-pyran-6-yl)methanol is sourced from PubChem (CID 102646462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).