1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene

C23H32 — CID 59456240

IUPAC1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene
SMILESCCC(C)c1ccc(C(C)CC(C)(CC)c2ccccc2)cc1
InChIInChI=1S/C23H32/c1-6-18(3)20-13-15-21(16-14-20)19(4)17-23(5,7-2)22-11-9-8-10-12-22/h8-16,18-19H,6-7,17H2,1-5H3
InChIKeyBEZIRDYAQDQZGA-UHFFFAOYSA-N
MW308.51 g/mol
LogP7.06
Rot. Bonds7

About 1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene

1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene (PubChem CID 59456240) has the molecular formula C23H32 and a molecular weight of 308.51 g/mol. Its IUPAC name is 1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene
PubChem CID59456240
Molecular FormulaC23H32
Molecular Weight308.51 g/mol
Exact Mass308.25
IUPAC Name1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene
SMILESCCC(C)c1ccc(C(C)CC(C)(CC)c2ccccc2)cc1
InChIInChI=1S/C23H32/c1-6-18(3)20-13-15-21(16-14-20)19(4)17-23(5,7-2)22-11-9-8-10-12-22/h8-16,18-19H,6-7,17H2,1-5H3
InChIKeyBEZIRDYAQDQZGA-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
P-Cymene
CID 7463
Cumene
CID 7406
Tert-Butylbenzene
CID 7366
4-tert-Butyltoluene
CID 7390
1,4-Diethylbenzene
CID 7734
p-Terphenyl
CID 7115
4-Methylbiphenyl
CID 12566
p-alpha-Dimethyl styrene
CID 62385
Diphenylmethane
CID 7580
Dibenzyl
CID 7647
Sec-Butylbenzene
CID 8680

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene?
The IUPAC name of 1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene (CID 59456240) is 1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene?
The canonical SMILES for 1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene is CCC(C)c1ccc(C(C)CC(C)(CC)c2ccccc2)cc1.
What is the InChIKey of 1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene?
The InChIKey is BEZIRDYAQDQZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32/c1-6-18(3)20-13-15-21(16-14-20)19(4)17-23(5,7-2)22-11-9-8-10-12-22/h8-16,18-19H,6-7,17H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene?
1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene has a molecular weight of 308.51 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene is sourced from PubChem (CID 59456240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).