1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene

C22H30O — CID 134214907

IUPAC1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene
SMILESCCC(CC(C)c1ccc(OC(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H30O/c1-6-18(20-10-8-7-9-11-20)16-17(2)19-12-14-21(15-13-19)23-22(3,4)5/h7-15,17-18H,6,16H2,1-5H3
InChIKeyVRIGAZHEUZUFRV-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.55
Rot. Bonds6

About 1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene

1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene (PubChem CID 134214907) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene
PubChem CID134214907
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene
SMILESCCC(CC(C)c1ccc(OC(C)(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H30O/c1-6-18(20-10-8-7-9-11-20)16-17(2)19-12-14-21(15-13-19)23-22(3,4)5/h7-15,17-18H,6,16H2,1-5H3
InChIKeyVRIGAZHEUZUFRV-UHFFFAOYSA-N
XLogP6.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
4-[5-(4-hydroxyphenyl)-7-[4-[(2-methylpropan-2-yl)oxy]phenyl]octan-3-yl]benzenesulfonate
CID 177097763
4-(5-phenylhexan-3-yl)benzoic acid
CID 20813389
butane;ethane;methane;1-[(2-methylpropan-2-yl)oxy]-4-(1-phenylethyl)benzene
CID 162233950
tert-butyl 4-[6-(4-hydroxyphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]octan-4-yl]benzoate
CID 54252059
[4-[2-(4-hydroxyphenyl)-6-phenyloctan-4-yl]phenyl] 2,2-dimethylpropanoate
CID 54232468
tert-butyl [4-[1-ethyl-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]butyl]phenyl] carbonate
CID 18730244
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene
CID 143858458
1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene
CID 154824840
1-butan-2-yl-4-[5-(4-pentan-3-ylphenyl)hexan-3-yl]benzene
CID 54004386

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene (CID 134214907) is 1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene is CCC(CC(C)c1ccc(OC(C)(C)C)cc1)c1ccccc1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene?
The InChIKey is VRIGAZHEUZUFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-6-18(20-10-8-7-9-11-20)16-17(2)19-12-14-21(15-13-19)23-22(3,4)5/h7-15,17-18H,6,16H2,1-5H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene?
1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene has a molecular weight of 310.48 g/mol, XLogP of 6.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-4-(4-phenylhexan-2-yl)benzene is sourced from PubChem (CID 134214907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).