1-tert-butyl-2-(4-propan-2-ylphenyl)benzene

C19H24 — CID 58258601

IUPAC1-tert-butyl-2-(4-propan-2-ylphenyl)benzene
SMILESCC(C)c1ccc(-c2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C19H24/c1-14(2)15-10-12-16(13-11-15)17-8-6-7-9-18(17)19(3,4)5/h6-14H,1-5H3
InChIKeyAMQHIXBPMFYXNU-UHFFFAOYSA-N
MW252.40 g/mol
LogP5.77
Rot. Bonds2

About 1-tert-butyl-2-(4-propan-2-ylphenyl)benzene

1-tert-butyl-2-(4-propan-2-ylphenyl)benzene (PubChem CID 58258601) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-tert-butyl-2-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-2-(4-propan-2-ylphenyl)benzene
PubChem CID58258601
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name1-tert-butyl-2-(4-propan-2-ylphenyl)benzene
SMILESCC(C)c1ccc(-c2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C19H24/c1-14(2)15-10-12-16(13-11-15)17-8-6-7-9-18(17)19(3,4)5/h6-14H,1-5H3
InChIKeyAMQHIXBPMFYXNU-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.40
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-2-(4-propan-2-ylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
1-tert-butyl-2-(4-methoxyphenyl)benzene
CID 58663059
1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
[2-(4-propan-2-ylphenyl)phenyl]methanol
CID 69041702
1-tert-butyl-4-(4-propan-2-ylphenyl)benzene;ethane
CID 159065709
2-[4-(2-tert-butylphenyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 175090687
N-[4-(2-tert-butylphenyl)phenyl]-N-methylnaphthalen-2-amine;naphthalene
CID 144729773
1-(2-tert-butylphenyl)-2,3,4,5,6-pentadeuteriobenzene
CID 140946173
2,3,6,7,10,11-hexakis(3-phenylphenyl)triphenylene;2,3,6,7,10,11-hexakis-phenyltriphenylene;2,3,6,7,10-pentakis(4-tert-butylphenyl)-11-(4-propan-2-ylphenyl)triphenylene
CID 162246061
phenyl-[2-(4-propan-2-ylphenyl)phenyl]iodanium
CID 175903400
1,2-ditert-butyl-3-(4-phenylphenyl)benzene
CID 19802295

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 1-tert-butyl-2-(4-propan-2-ylphenyl)benzene (CID 58258601) is 1-tert-butyl-2-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-tert-butyl-2-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-tert-butyl-2-(4-propan-2-ylphenyl)benzene is CC(C)c1ccc(-c2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-2-(4-propan-2-ylphenyl)benzene?
The InChIKey is AMQHIXBPMFYXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-14(2)15-10-12-16(13-11-15)17-8-6-7-9-18(17)19(3,4)5/h6-14H,1-5H3.
What are the key properties of 1-tert-butyl-2-(4-propan-2-ylphenyl)benzene?
1-tert-butyl-2-(4-propan-2-ylphenyl)benzene has a molecular weight of 252.40 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 58258601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).