1-(3-tert-butylphenyl)hexan-2-ol

C16H26O — CID 71163599

IUPAC1-(3-tert-butylphenyl)hexan-2-ol
SMILESCCCCC(O)Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H26O/c1-5-6-10-15(17)12-13-8-7-9-14(11-13)16(2,3)4/h7-9,11,15,17H,5-6,10,12H2,1-4H3
InChIKeyLNQMTZKIJBZMNE-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.08
Rot. Bonds5

About 1-(3-tert-butylphenyl)hexan-2-ol

1-(3-tert-butylphenyl)hexan-2-ol (PubChem CID 71163599) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)hexan-2-ol.

Molecular Properties

Compound Name1-(3-tert-butylphenyl)hexan-2-ol
PubChem CID71163599
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-(3-tert-butylphenyl)hexan-2-ol
SMILESCCCCC(O)Cc1cccc(C(C)(C)C)c1
InChIInChI=1S/C16H26O/c1-5-6-10-15(17)12-13-8-7-9-14(11-13)16(2,3)4/h7-9,11,15,17H,5-6,10,12H2,1-4H3
InChIKeyLNQMTZKIJBZMNE-UHFFFAOYSA-N
XLogP4.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(trifluoromethyl)phenyl]heptan-2-ol
CID 65149247
4-amino-1-(3-tert-butylphenyl)butan-2-ol
CID 66582205
1-[3-(trifluoromethyl)phenyl]octan-2-ol
CID 65149077
1-(3-bromophenyl)octan-2-ol
CID 63411241
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
1-tert-butyl-3-[2-(trifluoromethyl)pentyl]benzene
CID 70646216
3-(3-tert-butylphenyl)-2-methylpropan-1-ol
CID 53466403
4-amino-1-(3-ethylphenyl)butan-2-ol
CID 70653486
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
1-[3-(hydroxyiminomethyl)phenyl]dodecan-2-ol
CID 173065274
1-[3-(hydroxyiminomethyl)phenyl]nonan-2-ol
CID 173167260
1-[3-(trifluoromethyl)phenyl]heptan-4-ol
CID 64513695

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylphenyl)hexan-2-ol?
The IUPAC name of 1-(3-tert-butylphenyl)hexan-2-ol (CID 71163599) is 1-(3-tert-butylphenyl)hexan-2-ol.
What is the SMILES notation for 1-(3-tert-butylphenyl)hexan-2-ol?
The canonical SMILES for 1-(3-tert-butylphenyl)hexan-2-ol is CCCCC(O)Cc1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-(3-tert-butylphenyl)hexan-2-ol?
The InChIKey is LNQMTZKIJBZMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-5-6-10-15(17)12-13-8-7-9-14(11-13)16(2,3)4/h7-9,11,15,17H,5-6,10,12H2,1-4H3.
What are the key properties of 1-(3-tert-butylphenyl)hexan-2-ol?
1-(3-tert-butylphenyl)hexan-2-ol has a molecular weight of 234.38 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylphenyl)hexan-2-ol is sourced from PubChem (CID 71163599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).