3-(5-tert-butyl-2-methylphenyl)hexan-1-ol

C17H28O — CID 112508716

IUPAC3-(5-tert-butyl-2-methylphenyl)hexan-1-ol
SMILESCCCC(CCO)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C17H28O/c1-6-7-14(10-11-18)16-12-15(17(3,4)5)9-8-13(16)2/h8-9,12,14,18H,6-7,10-11H2,1-5H3
InChIKeyRLNGRKRHBAGBRS-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.56
Rot. Bonds5

About 3-(5-tert-butyl-2-methylphenyl)hexan-1-ol

3-(5-tert-butyl-2-methylphenyl)hexan-1-ol (PubChem CID 112508716) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-methylphenyl)hexan-1-ol.

Molecular Properties

Compound Name3-(5-tert-butyl-2-methylphenyl)hexan-1-ol
PubChem CID112508716
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name3-(5-tert-butyl-2-methylphenyl)hexan-1-ol
SMILESCCCC(CCO)c1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C17H28O/c1-6-7-14(10-11-18)16-12-15(17(3,4)5)9-8-13(16)2/h8-9,12,14,18H,6-7,10-11H2,1-5H3
InChIKeyRLNGRKRHBAGBRS-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-tert-butyl-2-methylphenyl)pentanenitrile
CID 82081697
2-(5-tert-butyl-2-methylphenyl)-3-methylbutan-1-ol
CID 82083216
3-amino-1-(5-tert-butyl-2-methylphenyl)propan-1-ol
CID 82048901
4-tert-butyl-2-[(Z)-hept-5-en-3-yl]-1-methylbenzene
CID 83935390
4-tert-butyl-2-(4-chlorobutan-2-yl)-1-methylbenzene
CID 82084225
4-tert-butyl-2-(2-deuteriopropan-2-yl)-1-methylbenzene
CID 157217338
4-(5-tert-butyl-2-methylphenyl)-5-methylhexan-3-one
CID 83935348
4-(5-tert-butyl-2-methylphenyl)-4-hydroxybutanenitrile
CID 82082214
4-(5-tert-butyl-2-methylphenyl)-3-methylpentan-1-amine
CID 83935321
3-(5-tert-butyl-2-ethoxyphenyl)hexanoic acid
CID 83958349
1-(5-tert-butyl-2-methylphenyl)-3-chloro-N-methylpropan-1-amine
CID 116952746
2-(5-tert-butyl-2-methylanilino)ethanol
CID 82492429

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-methylphenyl)hexan-1-ol?
The IUPAC name of 3-(5-tert-butyl-2-methylphenyl)hexan-1-ol (CID 112508716) is 3-(5-tert-butyl-2-methylphenyl)hexan-1-ol.
What is the SMILES notation for 3-(5-tert-butyl-2-methylphenyl)hexan-1-ol?
The canonical SMILES for 3-(5-tert-butyl-2-methylphenyl)hexan-1-ol is CCCC(CCO)c1cc(C(C)(C)C)ccc1C.
What is the InChIKey of 3-(5-tert-butyl-2-methylphenyl)hexan-1-ol?
The InChIKey is RLNGRKRHBAGBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-6-7-14(10-11-18)16-12-15(17(3,4)5)9-8-13(16)2/h8-9,12,14,18H,6-7,10-11H2,1-5H3.
What are the key properties of 3-(5-tert-butyl-2-methylphenyl)hexan-1-ol?
3-(5-tert-butyl-2-methylphenyl)hexan-1-ol has a molecular weight of 248.41 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-tert-butyl-2-methylphenyl)hexan-1-ol is sourced from PubChem (CID 112508716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).