4-(3-tert-butylphenyl)-1,2-dimethylbenzene

C18H22 — CID 59105932

IUPAC4-(3-tert-butylphenyl)-1,2-dimethylbenzene
SMILESCc1ccc(-c2cccc(C(C)(C)C)c2)cc1C
InChIInChI=1S/C18H22/c1-13-9-10-16(11-14(13)2)15-7-6-8-17(12-15)18(3,4)5/h6-12H,1-5H3
InChIKeyRODWEKSYDHHTBL-UHFFFAOYSA-N
MW238.37 g/mol
LogP5.27
Rot. Bonds1

About 4-(3-tert-butylphenyl)-1,2-dimethylbenzene

4-(3-tert-butylphenyl)-1,2-dimethylbenzene (PubChem CID 59105932) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 4-(3-tert-butylphenyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(3-tert-butylphenyl)-1,2-dimethylbenzene
PubChem CID59105932
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name4-(3-tert-butylphenyl)-1,2-dimethylbenzene
SMILESCc1ccc(-c2cccc(C(C)(C)C)c2)cc1C
InChIInChI=1S/C18H22/c1-13-9-10-16(11-14(13)2)15-7-6-8-17(12-15)18(3,4)5/h6-12H,1-5H3
InChIKeyRODWEKSYDHHTBL-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.37
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
2-tert-butyl-5-(3-tert-butylphenyl)-1,3-dimethylbenzene
CID 153279790
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144
1-tert-butyl-3-(3-fluorophenyl)benzene
CID 59066475
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
1-tert-butyl-3-(4-nitrophenyl)benzene
CID 165476956
2-tert-butyl-5-(3-tert-butylphenyl)pyridine
CID 90148532
1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene
CID 143454027
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
2-(3-tert-butylphenyl)-4,5-dimethylbenzoic acid
CID 71098671

Frequently Asked Questions

What is the IUPAC name of 4-(3-tert-butylphenyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(3-tert-butylphenyl)-1,2-dimethylbenzene (CID 59105932) is 4-(3-tert-butylphenyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(3-tert-butylphenyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(3-tert-butylphenyl)-1,2-dimethylbenzene is Cc1ccc(-c2cccc(C(C)(C)C)c2)cc1C.
What is the InChIKey of 4-(3-tert-butylphenyl)-1,2-dimethylbenzene?
The InChIKey is RODWEKSYDHHTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-13-9-10-16(11-14(13)2)15-7-6-8-17(12-15)18(3,4)5/h6-12H,1-5H3.
What are the key properties of 4-(3-tert-butylphenyl)-1,2-dimethylbenzene?
4-(3-tert-butylphenyl)-1,2-dimethylbenzene has a molecular weight of 238.37 g/mol, XLogP of 5.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-tert-butylphenyl)-1,2-dimethylbenzene is sourced from PubChem (CID 59105932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).