[4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol

C17H28O — CID 123380059

IUPAC[4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol
SMILESCC(c1ccc(CO)cc1)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H28O/c1-13(17(5,6)12-16(2,3)4)15-9-7-14(11-18)8-10-15/h7-10,13,18H,11-12H2,1-6H3
InChIKeyBHAKSTKZTZZKEU-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.74
Rot. Bonds4

About [4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol

[4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol (PubChem CID 123380059) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is [4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol
PubChem CID123380059
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name[4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol
SMILESCC(c1ccc(CO)cc1)C(C)(C)CC(C)(C)C
InChIInChI=1S/C17H28O/c1-13(17(5,6)12-16(2,3)4)15-9-7-14(11-18)8-10-15/h7-10,13,18H,11-12H2,1-6H3
InChIKeyBHAKSTKZTZZKEU-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol?
The IUPAC name of [4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol (CID 123380059) is [4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol.
What is the SMILES notation for [4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol?
The canonical SMILES for [4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol is CC(c1ccc(CO)cc1)C(C)(C)CC(C)(C)C.
What is the InChIKey of [4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol?
The InChIKey is BHAKSTKZTZZKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-13(17(5,6)12-16(2,3)4)15-9-7-14(11-18)8-10-15/h7-10,13,18H,11-12H2,1-6H3.
What are the key properties of [4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol?
[4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol has a molecular weight of 248.41 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,3,5,5-tetramethylhexan-2-yl)phenyl]methanol is sourced from PubChem (CID 123380059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).