1-methyl-4-(3-phenylprop-1-en-2-yl)benzene

C16H16 — CID 134964621

IUPAC1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
SMILESC=C(Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H16/c1-13-8-10-16(11-9-13)14(2)12-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3
InChIKeyXNKLSQIOPKJVCJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.25
Rot. Bonds3

About 1-methyl-4-(3-phenylprop-1-en-2-yl)benzene

1-methyl-4-(3-phenylprop-1-en-2-yl)benzene (PubChem CID 134964621) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-methyl-4-(3-phenylprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
PubChem CID134964621
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name1-methyl-4-(3-phenylprop-1-en-2-yl)benzene
SMILESC=C(Cc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H16/c1-13-8-10-16(11-9-13)14(2)12-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3
InChIKeyXNKLSQIOPKJVCJ-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-methyl-4-[2-(4-methylphenyl)prop-2-enyl]benzene
CID 153375358
1-methyl-4-[2-[2-(3-phenylprop-1-en-2-yl)phenyl]ethyl]benzene
CID 140698702
1-(2-phenylprop-2-enyl)-4-propylbenzene
CID 57162599
ethane;methyl 2-[4-[3-[4-(2-phenylacetyl)phenyl]prop-1-en-2-yl]phenyl]acetate
CID 145312814
1-methyl-4-[7-(4-methylphenyl)octa-1,7-dien-2-yl]benzene
CID 15247721
1-[(1E)-3-benzylbuta-1,3-dienyl]-4-methylbenzene
CID 102460258
1-methyl-4-(4-methyl-3-methylidene-5-phenylpent-1-en-2-yl)benzene
CID 123950810
1-bromo-3-(3-phenylprop-1-en-2-yl)benzene
CID 174355940
1-[(E)-1,2-dibromo-2-phenylethenyl]-4-methylbenzene
CID 101391865
2-methylidenebutylbenzene
CID 10964655
1-(3,3-difluoro-3-phenylprop-1-en-2-yl)-4-methylbenzene
CID 123988265
3-phenylprop-1-en-2-ylcarbamic acid
CID 130423849

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-phenylprop-1-en-2-yl)benzene?
The IUPAC name of 1-methyl-4-(3-phenylprop-1-en-2-yl)benzene (CID 134964621) is 1-methyl-4-(3-phenylprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-methyl-4-(3-phenylprop-1-en-2-yl)benzene?
The canonical SMILES for 1-methyl-4-(3-phenylprop-1-en-2-yl)benzene is C=C(Cc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(3-phenylprop-1-en-2-yl)benzene?
The InChIKey is XNKLSQIOPKJVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-13-8-10-16(11-9-13)14(2)12-15-6-4-3-5-7-15/h3-11H,2,12H2,1H3.
What are the key properties of 1-methyl-4-(3-phenylprop-1-en-2-yl)benzene?
1-methyl-4-(3-phenylprop-1-en-2-yl)benzene has a molecular weight of 208.30 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-phenylprop-1-en-2-yl)benzene is sourced from PubChem (CID 134964621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).