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

C17H28O — CID 126723379

IUPAC[3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol
SMILESCC(C)(C)CC(c1cccc(CO)c1)C(C)(C)C
InChIInChI=1S/C17H28O/c1-16(2,3)11-15(17(4,5)6)14-9-7-8-13(10-14)12-18/h7-10,15,18H,11-12H2,1-6H3
InChIKeyJTTQFXYYGCKHKW-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.74
Rot. Bonds3

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

[3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol (PubChem CID 126723379) has the molecular formula C17H28O and a molecular weight of 248.41 g/mol. Its IUPAC name is [3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol
PubChem CID126723379
Molecular FormulaC17H28O
Molecular Weight248.41 g/mol
Exact Mass248.21
IUPAC Name[3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol
SMILESCC(C)(C)CC(c1cccc(CO)c1)C(C)(C)C
InChIInChI=1S/C17H28O/c1-16(2,3)11-15(17(4,5)6)14-9-7-8-13(10-14)12-18/h7-10,15,18H,11-12H2,1-6H3
InChIKeyJTTQFXYYGCKHKW-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
[3-(2,2-dimethylpropyl)phenyl]methanol
CID 23381572
[3-[2-[3-(hydroxymethyl)phenyl]propanoyloxy]-2-[2-[3-(hydroxymethyl)phenyl]propanoyloxymethyl]-2-methylpropyl] 2-[3-(hydroxymethyl)phenyl]propanoate
CID 58152767
1-(2,2-dimethylhexan-3-yl)-3-ethylbenzene
CID 59692082
ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
CID 143183625
2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
CID 130269359
3-(2,2,5,5-tetramethylhexan-3-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 144724062
[3-[(1R)-1,2-diaminoethyl]phenyl]methanol
CID 66516208
1-(bromomethyl)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123665434
[3-[1-(ethylamino)ethyl]phenyl]methanol
CID 115776701
2,2,5,5-tetramethylhexan-3-ylbenzene;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phosphonic acid
CID 143754679
1,3-ditert-butyl-5-(2,2,5,5-tetramethylhexan-3-yl)benzene;methane
CID 144560114

Frequently Asked Questions

What is the IUPAC name of [3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol?
The IUPAC name of [3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol (CID 126723379) is [3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol.
What is the SMILES notation for [3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol?
The canonical SMILES for [3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol is CC(C)(C)CC(c1cccc(CO)c1)C(C)(C)C.
What is the InChIKey of [3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol?
The InChIKey is JTTQFXYYGCKHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O/c1-16(2,3)11-15(17(4,5)6)14-9-7-8-13(10-14)12-18/h7-10,15,18H,11-12H2,1-6H3.
What are the key properties of [3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol?
[3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol has a molecular weight of 248.41 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanol is sourced from PubChem (CID 126723379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).