1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene

C17H20 — CID 123198659

IUPAC1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
SMILESCc1cc(C)cc(-c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C17H20/c1-12(2)15-5-7-16(8-6-15)17-10-13(3)9-14(4)11-17/h5-12H,1-4H3
InChIKeySNIIYAISWUTDBS-UHFFFAOYSA-N
MW224.35 g/mol
LogP5.09
Rot. Bonds2

About 1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene

1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene (PubChem CID 123198659) has the molecular formula C17H20 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
PubChem CID123198659
Molecular FormulaC17H20
Molecular Weight224.35 g/mol
Exact Mass224.16
IUPAC Name1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
SMILESCc1cc(C)cc(-c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C17H20/c1-12(2)15-5-7-16(8-6-15)17-10-13(3)9-14(4)11-17/h5-12H,1-4H3
InChIKeySNIIYAISWUTDBS-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.35
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene
CID 91306143
2,6-dimethyl-4-(4-propan-2-ylphenyl)pyridine
CID 176864859
1-[4-[3,5-bis(4-methylphenyl)phenyl]phenyl]-3,5-dimethylbenzene
CID 58892382
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
1-methyl-3-phenyl-5-propan-2-ylbenzene
CID 123242650
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
1-methyl-3-[3-methyl-5-(4-methylphenyl)phenyl]-5-(4-methylphenyl)benzene
CID 58892368
4-(4-propan-2-ylphenyl)phosphinine
CID 142128877
2-(3,5-dimethylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 123164700
1-methyl-4-propan-2-ylbenzene;1,3,5-trimethyl-2-propan-2-ylbenzene
CID 165068605

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene?
The IUPAC name of 1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene (CID 123198659) is 1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene?
The canonical SMILES for 1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene is Cc1cc(C)cc(-c2ccc(C(C)C)cc2)c1.
What is the InChIKey of 1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene?
The InChIKey is SNIIYAISWUTDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20/c1-12(2)15-5-7-16(8-6-15)17-10-13(3)9-14(4)11-17/h5-12H,1-4H3.
What are the key properties of 1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene?
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene has a molecular weight of 224.35 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene is sourced from PubChem (CID 123198659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).