1-(4-tert-butylphenyl)-2-ethylbutan-1-ol

C16H26O — CID 63426874

IUPAC1-(4-tert-butylphenyl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26O/c1-6-12(7-2)15(17)13-8-10-14(11-9-13)16(3,4)5/h8-12,15,17H,6-7H2,1-5H3
InChIKeyIRGYLXPMIMNXCE-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.45
Rot. Bonds4

About 1-(4-tert-butylphenyl)-2-ethylbutan-1-ol

1-(4-tert-butylphenyl)-2-ethylbutan-1-ol (PubChem CID 63426874) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-ethylbutan-1-ol
PubChem CID63426874
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-(4-tert-butylphenyl)-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26O/c1-6-12(7-2)15(17)13-8-10-14(11-9-13)16(3,4)5/h8-12,15,17H,6-7H2,1-5H3
InChIKeyIRGYLXPMIMNXCE-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(4-tert-butylphenyl)ethane-1,2-diol
CID 21199328
2-ethyl-1-(4-propan-2-ylphenyl)butan-1-ol
CID 61082952
1-(4-tert-butylphenyl)propan-1-ol
CID 3279311
1-(1-bromo-2-ethylbutyl)-4-tert-butylbenzene
CID 63440017
1-(4-tert-butylphenyl)-3-sulfanylpropane-1,2-diol
CID 170820129
2-ethyl-1-(4-phenylphenyl)butan-1-ol
CID 63425864
1-(4-tert-butylphenyl)-2-(2-hydroxyethylamino)butan-1-ol
CID 82313635
(1R,3R)-1,3-bis(4-tert-butylphenyl)propane-1,3-diol
CID 177450380
2-ethyl-1-(4-methylsulfonylphenyl)butan-1-ol
CID 115821895
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
1-(4-tert-butylphenyl)-2-ethoxypentan-1-ol
CID 116711399
1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-ethylbutan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-2-ethylbutan-1-ol (CID 63426874) is 1-(4-tert-butylphenyl)-2-ethylbutan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-ethylbutan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-ethylbutan-1-ol is CCC(CC)C(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-ethylbutan-1-ol?
The InChIKey is IRGYLXPMIMNXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-6-12(7-2)15(17)13-8-10-14(11-9-13)16(3,4)5/h8-12,15,17H,6-7H2,1-5H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-ethylbutan-1-ol?
1-(4-tert-butylphenyl)-2-ethylbutan-1-ol has a molecular weight of 234.38 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-ethylbutan-1-ol is sourced from PubChem (CID 63426874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).