2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol

C21H36O — CID 130269359

IUPAC2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
SMILESCC(C)(C)CC(c1ccc(C(O)C(C)(C)C)cc1)C(C)(C)C
InChIInChI=1S/C21H36O/c1-19(2,3)14-17(20(4,5)6)15-10-12-16(13-11-15)18(22)21(7,8)9/h10-13,17-18,22H,14H2,1-9H3
InChIKeyHXAUXDFZDDYCTA-UHFFFAOYSA-N
MW304.52 g/mol
LogP6.33
Rot. Bonds3

About 2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol

2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol (PubChem CID 130269359) has the molecular formula C21H36O and a molecular weight of 304.52 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
PubChem CID130269359
Molecular FormulaC21H36O
Molecular Weight304.52 g/mol
Exact Mass304.28
IUPAC Name2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
SMILESCC(C)(C)CC(c1ccc(C(O)C(C)(C)C)cc1)C(C)(C)C
InChIInChI=1S/C21H36O/c1-19(2,3)14-17(20(4,5)6)15-10-12-16(13-11-15)18(22)21(7,8)9/h10-13,17-18,22H,14H2,1-9H3
InChIKeyHXAUXDFZDDYCTA-UHFFFAOYSA-N
XLogP6.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.52
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 90871361
1-(bromomethyl)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123665434
[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phosphonic acid
CID 71033304
ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
CID 143183625
methyl 4-(2,2,5,5-tetramethylhexan-3-yl)benzoate
CID 71131717
[4-(2,2,5,5-tetramethylhexan-3-yl)phenoxy]-(1-tricyclo[4.3.1.13,8]undecanyl)methanol
CID 123635954
1-[4-(hydroxymethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 21425202
(1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 58172166
2,2,5,5-tetramethylhexan-3-ylbenzene;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phosphonic acid
CID 143754679
3-(2,2,5,5-tetramethylhexan-3-yl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 144724062

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol (CID 130269359) is 2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol is CC(C)(C)CC(c1ccc(C(O)C(C)(C)C)cc1)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol?
The InChIKey is HXAUXDFZDDYCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O/c1-19(2,3)14-17(20(4,5)6)15-10-12-16(13-11-15)18(22)21(7,8)9/h10-13,17-18,22H,14H2,1-9H3.
What are the key properties of 2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol?
2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol has a molecular weight of 304.52 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol is sourced from PubChem (CID 130269359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).