1-(2-tert-butylphenyl)-5-methylhexan-1-ol

C17H28O — CID 115829952

IUPAC1-(2-tert-butylphenyl)-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H28O/c1-13(2)9-8-12-16(18)14-10-6-7-11-15(14)17(3,4)5/h6-7,10-11,13,16,18H,8-9,12H2,1-5H3
InChIKeyOAQZYCQTYWZPPT-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.84
Rot. Bonds5

About 1-(2-tert-butylphenyl)-5-methylhexan-1-ol

1-(2-tert-butylphenyl)-5-methylhexan-1-ol (PubChem CID 115829952) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-5-methylhexan-1-ol
PubChem CID115829952
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name1-(2-tert-butylphenyl)-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H28O/c1-13(2)9-8-12-16(18)14-10-6-7-11-15(14)17(3,4)5/h6-7,10-11,13,16,18H,8-9,12H2,1-5H3
InChIKeyOAQZYCQTYWZPPT-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-1-(2-tert-butylphenyl)ethanol
CID 18627964
1-(2-iodophenyl)-5-methylhexan-1-ol
CID 115829982
5-methyl-1-phenylhexan-1-ol
CID 10997859
2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol
CID 114977195
1-(2-tert-butylphenyl)-2-cyclopropylethanol
CID 115804027
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158841
1-(2-tert-butylphenyl)-2-(2,4-dichlorophenyl)ethanol
CID 115785100
(2-tert-butylphenyl)-[3-[(2-tert-butylphenyl)-hydroxymethyl]phenyl]methanol
CID 170551631
5-methyl-1-quinolin-8-ylhexan-1-ol
CID 83158737
2-(2-bromophenyl)-6-methylheptan-2-ol
CID 83157247
1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 107985814

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-5-methylhexan-1-ol?
The IUPAC name of 1-(2-tert-butylphenyl)-5-methylhexan-1-ol (CID 115829952) is 1-(2-tert-butylphenyl)-5-methylhexan-1-ol.
What is the SMILES notation for 1-(2-tert-butylphenyl)-5-methylhexan-1-ol?
The canonical SMILES for 1-(2-tert-butylphenyl)-5-methylhexan-1-ol is CC(C)CCCC(O)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-5-methylhexan-1-ol?
The InChIKey is OAQZYCQTYWZPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-13(2)9-8-12-16(18)14-10-6-7-11-15(14)17(3,4)5/h6-7,10-11,13,16,18H,8-9,12H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-5-methylhexan-1-ol?
1-(2-tert-butylphenyl)-5-methylhexan-1-ol has a molecular weight of 248.41 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-5-methylhexan-1-ol is sourced from PubChem (CID 115829952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).