1-methyl-2-(1-phenylpropan-2-yl)benzene

C16H18 — CID 22356709

IUPAC1-methyl-2-(1-phenylpropan-2-yl)benzene
SMILESCc1ccccc1C(C)Cc1ccccc1
InChIInChI=1S/C16H18/c1-13-8-6-7-11-16(13)14(2)12-15-9-4-3-5-10-15/h3-11,14H,12H2,1-2H3
InChIKeyOHNSRWPBZLQCDF-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.34
Rot. Bonds3

About 1-methyl-2-(1-phenylpropan-2-yl)benzene

1-methyl-2-(1-phenylpropan-2-yl)benzene (PubChem CID 22356709) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methyl-2-(1-phenylpropan-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-2-(1-phenylpropan-2-yl)benzene
PubChem CID22356709
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name1-methyl-2-(1-phenylpropan-2-yl)benzene
SMILESCc1ccccc1C(C)Cc1ccccc1
InChIInChI=1S/C16H18/c1-13-8-6-7-11-16(13)14(2)12-15-9-4-3-5-10-15/h3-11,14H,12H2,1-2H3
InChIKeyOHNSRWPBZLQCDF-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-[(1S)-1-(2-methylphenyl)ethyl]-1-phenylpropan-2-amine
CID 81375017
1-(1-bromo-2-phenylethyl)-2-methylbenzene
CID 63529712
3-methyl-2-[(2S)-2-(2-methylphenyl)propyl]pyridine
CID 165410451
1-methyl-10-pentan-2-ylcyclodeca-1,3,5,7,9-pentaene
CID 123216377
1-(1-bromo-3-phenylpropan-2-yl)-2-methylbenzene
CID 79418449
N-methyl-1-(2-methylphenyl)-2-phenylethanamine
CID 60819180
1-(1-phenylpropan-2-yl)-2-propylbenzene
CID 18968363
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
CID 67747413
CID 67747413
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
4-[2-[2-[1-(4-aminophenyl)propan-2-yl]phenyl]propyl]aniline
CID 141439790
1-methyl-2-propan-2-ylbenzene;propylbenzene
CID 177038252

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-phenylpropan-2-yl)benzene?
The IUPAC name of 1-methyl-2-(1-phenylpropan-2-yl)benzene (CID 22356709) is 1-methyl-2-(1-phenylpropan-2-yl)benzene.
What is the SMILES notation for 1-methyl-2-(1-phenylpropan-2-yl)benzene?
The canonical SMILES for 1-methyl-2-(1-phenylpropan-2-yl)benzene is Cc1ccccc1C(C)Cc1ccccc1.
What is the InChIKey of 1-methyl-2-(1-phenylpropan-2-yl)benzene?
The InChIKey is OHNSRWPBZLQCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-13-8-6-7-11-16(13)14(2)12-15-9-4-3-5-10-15/h3-11,14H,12H2,1-2H3.
What are the key properties of 1-methyl-2-(1-phenylpropan-2-yl)benzene?
1-methyl-2-(1-phenylpropan-2-yl)benzene has a molecular weight of 210.32 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-phenylpropan-2-yl)benzene is sourced from PubChem (CID 22356709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).