1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene

C24H34O — CID 91223677

IUPAC1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
SMILESCC(Oc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C24H34O/c1-18(19-11-9-8-10-12-19)25-21-15-13-20(14-16-21)22(24(5,6)7)17-23(2,3)4/h8-16,18,22H,17H2,1-7H3
InChIKeyLXJZMFVJSQIWPI-UHFFFAOYSA-N
MW338.54 g/mol
LogP7.39
Rot. Bonds5

About 1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene

1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene (PubChem CID 91223677) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene.

Molecular Properties

Compound Name1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
PubChem CID91223677
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
SMILESCC(Oc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C24H34O/c1-18(19-11-9-8-10-12-19)25-21-15-13-20(14-16-21)22(24(5,6)7)17-23(2,3)4/h8-16,18,22H,17H2,1-7H3
InChIKeyLXJZMFVJSQIWPI-UHFFFAOYSA-N
XLogP7.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 57.39
H-Bond Donors ≤ 50
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-butan-2-yl-4-(1-phenylethoxy)benzene
CID 58079027
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-amine
CID 78960186
2,2,5,5,6,7,7-heptamethyloctan-4-ylbenzene
CID 90806094
(1S)-1-[4-(1-phenylethoxy)phenyl]propan-1-ol
CID 78960222
2,2,5,5-tetramethylhexan-3-ylbenzene;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phosphonic acid
CID 143754679
4-[(1S)-1-phenylethoxy]benzoic acid
CID 28604848
N-[1-[4-(1-phenylethoxy)phenyl]ethyl]hydroxylamine
CID 10658809
1-propan-2-yloxy-4-(2,5,5-trimethylhexan-3-yl)benzene
CID 123364737
1-(1-cyclohexyloxy-2-methylpropoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123324499
1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123795245

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The IUPAC name of 1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene (CID 91223677) is 1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene.
What is the SMILES notation for 1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The canonical SMILES for 1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene is CC(Oc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The InChIKey is LXJZMFVJSQIWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-18(19-11-9-8-10-12-19)25-21-15-13-20(14-16-21)22(24(5,6)7)17-23(2,3)4/h8-16,18,22H,17H2,1-7H3.
What are the key properties of 1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene has a molecular weight of 338.54 g/mol, XLogP of 7.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene is sourced from PubChem (CID 91223677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).