1-methyl-3-phenyl-5-propan-2-ylbenzene

C16H18 — CID 123242650

IUPAC1-methyl-3-phenyl-5-propan-2-ylbenzene
SMILESCc1cc(-c2ccccc2)cc(C(C)C)c1
InChIInChI=1S/C16H18/c1-12(2)15-9-13(3)10-16(11-15)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyIFPAJKOWVBLINF-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.79
Rot. Bonds2

About 1-methyl-3-phenyl-5-propan-2-ylbenzene

1-methyl-3-phenyl-5-propan-2-ylbenzene (PubChem CID 123242650) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methyl-3-phenyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1-methyl-3-phenyl-5-propan-2-ylbenzene
PubChem CID123242650
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1-methyl-3-phenyl-5-propan-2-ylbenzene
SMILESCc1cc(-c2ccccc2)cc(C(C)C)c1
InChIInChI=1S/C16H18/c1-12(2)15-9-13(3)10-16(11-15)14-7-5-4-6-8-14/h4-12H,1-3H3
InChIKeyIFPAJKOWVBLINF-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 167251693
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
1,3-dimethyl-5-(4-propan-2-ylphenyl)benzene
CID 123198659
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
CID 174481520
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
1-propan-2-yl-3,5-bis(4-propan-2-ylphenyl)benzene
CID 91306143
3-methyl-5-phenylbenzenethiol
CID 154950467
1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
2-methyl-5-phenyl-1,3-di(propan-2-yl)benzene
CID 140720985

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phenyl-5-propan-2-ylbenzene?
The IUPAC name of 1-methyl-3-phenyl-5-propan-2-ylbenzene (CID 123242650) is 1-methyl-3-phenyl-5-propan-2-ylbenzene.
What is the SMILES notation for 1-methyl-3-phenyl-5-propan-2-ylbenzene?
The canonical SMILES for 1-methyl-3-phenyl-5-propan-2-ylbenzene is Cc1cc(-c2ccccc2)cc(C(C)C)c1.
What is the InChIKey of 1-methyl-3-phenyl-5-propan-2-ylbenzene?
The InChIKey is IFPAJKOWVBLINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-12(2)15-9-13(3)10-16(11-15)14-7-5-4-6-8-14/h4-12H,1-3H3.
What are the key properties of 1-methyl-3-phenyl-5-propan-2-ylbenzene?
1-methyl-3-phenyl-5-propan-2-ylbenzene has a molecular weight of 210.32 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phenyl-5-propan-2-ylbenzene is sourced from PubChem (CID 123242650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).