2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol

C28H34O — CID 66866905

IUPAC2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol
SMILESCC(C)(CCC(Cc1ccccc1O)C(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O/c1-27(2,23-14-7-5-8-15-23)20-19-25(21-22-13-11-12-18-26(22)29)28(3,4)24-16-9-6-10-17-24/h5-18,25,29H,19-21H2,1-4H3
InChIKeyAKQXZZVWVFNMLQ-UHFFFAOYSA-N
MW386.58 g/mol
LogP7.29
Rot. Bonds8

About 2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol

2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol (PubChem CID 66866905) has the molecular formula C28H34O and a molecular weight of 386.58 g/mol. Its IUPAC name is 2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol.

Molecular Properties

Compound Name2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol
PubChem CID66866905
Molecular FormulaC28H34O
Molecular Weight386.58 g/mol
Exact Mass386.26
IUPAC Name2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol
SMILESCC(C)(CCC(Cc1ccccc1O)C(C)(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H34O/c1-27(2,23-14-7-5-8-15-23)20-19-25(21-22-13-11-12-18-26(22)29)28(3,4)24-16-9-6-10-17-24/h5-18,25,29H,19-21H2,1-4H3
InChIKeyAKQXZZVWVFNMLQ-UHFFFAOYSA-N
XLogP7.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.58
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[7-methyl-7-phenyl-2-(2-phenylpropan-2-yl)octyl]phenol
CID 66866510
2-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
CID 66867217
2-[[7,8-dimethyl-8-phenyl-5-(2-phenylpropan-2-yl)nonan-3-yl]sulfanylmethyl]phenol
CID 70189123
2,3,6-trimethylheptan-2-ylbenzene
CID 20588991
4-[4-methyl-4-phenyl-3-(2-phenylpropan-2-yl)pentyl]phenol
CID 66867219
3-heptyl-2-(2-phenylpropan-2-yl)phenol
CID 66866633
[(3R)-3,6-dimethyl-2-oxo-6-phenylheptyl]phosphonic acid
CID 118160466
2-(2-methylpropyl)phenol;propane
CID 158609255
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
[2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene
CID 70593938
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
(2-methyl-6-phenylhexan-2-yl)benzene
CID 57113008

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol?
The IUPAC name of 2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol (CID 66866905) is 2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol.
What is the SMILES notation for 2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol?
The canonical SMILES for 2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol is CC(C)(CCC(Cc1ccccc1O)C(C)(C)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol?
The InChIKey is AKQXZZVWVFNMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34O/c1-27(2,23-14-7-5-8-15-23)20-19-25(21-22-13-11-12-18-26(22)29)28(3,4)24-16-9-6-10-17-24/h5-18,25,29H,19-21H2,1-4H3.
What are the key properties of 2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol?
2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol has a molecular weight of 386.58 g/mol, XLogP of 7.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-5-phenyl-2-(2-phenylpropan-2-yl)hexyl]phenol is sourced from PubChem (CID 66866905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).