1-methyl-3-(1-phenylprop-1-enyl)benzene

C16H16 — CID 54065155

IUPAC1-methyl-3-(1-phenylprop-1-enyl)benzene
SMILESCC=C(c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C16H16/c1-3-16(14-9-5-4-6-10-14)15-11-7-8-13(2)12-15/h3-12H,1-2H3
InChIKeyMCKIUDKJHDVKSE-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.45
Rot. Bonds2

About 1-methyl-3-(1-phenylprop-1-enyl)benzene

1-methyl-3-(1-phenylprop-1-enyl)benzene (PubChem CID 54065155) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-methyl-3-(1-phenylprop-1-enyl)benzene.

Molecular Properties

Compound Name1-methyl-3-(1-phenylprop-1-enyl)benzene
PubChem CID54065155
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name1-methyl-3-(1-phenylprop-1-enyl)benzene
SMILESCC=C(c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C16H16/c1-3-16(14-9-5-4-6-10-14)15-11-7-8-13(2)12-15/h3-12H,1-2H3
InChIKeyMCKIUDKJHDVKSE-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethyl (Z)-3-(3-methylphenyl)-3-phenylprop-2-enoate
CID 11414453
3-methylbenzoic acid
CID 7418
(3-methylbenzoyl)azanium
CID 153183849
1-[(Z)-2-bromo-1-iodoethenyl]-3-methylbenzene
CID 102257865
4,4-bis(3-methylphenyl)but-3-en-2-amine
CID 12821410
1-bromo-4-[(Z)-1-phenylprop-1-enyl]benzene
CID 71096941
1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene
CID 59021042
1,2-bis(3-methylphenyl)ethene-1,2-dithiol
CID 76563900
bis(3-methylphenyl)methanone
CID 17848
1-methyl-2-(1-phenylprop-1-enyl)benzene
CID 54442405
1-[(E)-1,2-diphenylethenyl]-3,5-dimethylbenzene
CID 102283566
1,1-bis(3-methylphenyl)-N-phenylmethanimine
CID 59167245

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-phenylprop-1-enyl)benzene?
The IUPAC name of 1-methyl-3-(1-phenylprop-1-enyl)benzene (CID 54065155) is 1-methyl-3-(1-phenylprop-1-enyl)benzene.
What is the SMILES notation for 1-methyl-3-(1-phenylprop-1-enyl)benzene?
The canonical SMILES for 1-methyl-3-(1-phenylprop-1-enyl)benzene is CC=C(c1ccccc1)c1cccc(C)c1.
What is the InChIKey of 1-methyl-3-(1-phenylprop-1-enyl)benzene?
The InChIKey is MCKIUDKJHDVKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-3-16(14-9-5-4-6-10-14)15-11-7-8-13(2)12-15/h3-12H,1-2H3.
What are the key properties of 1-methyl-3-(1-phenylprop-1-enyl)benzene?
1-methyl-3-(1-phenylprop-1-enyl)benzene has a molecular weight of 208.30 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-phenylprop-1-enyl)benzene is sourced from PubChem (CID 54065155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).