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

C16H16 — CID 606421

IUPAC1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
SMILESCC(=Cc1ccccc1)c1ccccc1C
InChIInChI=1S/C16H16/c1-13-8-6-7-11-16(13)14(2)12-15-9-4-3-5-10-15/h3-12H,1-2H3
InChIKeyFBDFQOWEJJZDCO-UHFFFAOYSA-N
MW208.30 g/mol
LogP4.56
Rot. Bonds2

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

1-methyl-2-(1-phenylprop-1-en-2-yl)benzene (PubChem CID 606421) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-methyl-2-(1-phenylprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
PubChem CID606421
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name1-methyl-2-(1-phenylprop-1-en-2-yl)benzene
SMILESCC(=Cc1ccccc1)c1ccccc1C
InChIInChI=1S/C16H16/c1-13-8-6-7-11-16(13)14(2)12-15-9-4-3-5-10-15/h3-12H,1-2H3
InChIKeyFBDFQOWEJJZDCO-UHFFFAOYSA-N
XLogP4.56
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 ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 18968417
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene
CID 54101312
(Z)-4-(2-methylphenyl)pent-3-en-2-one
CID 67605542
CID 70499043
CID 70499043
1,3-dimethyl-5-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 15520037
2-methyl-5-phenyl-3-[(Z)-1-phenylprop-1-en-2-yl]furan
CID 173398472
N-phenyl-N,2-bis(1-phenylprop-1-en-2-yl)aniline
CID 69047473
(Z)-1-[2-[(Z)-1-amino-2-phenylethenyl]phenyl]-2-phenylethenamine
CID 126612828
(E)-1-(2-methylphenyl)-3-[3-[(E)-3-(2-methylphenyl)-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 58692940
1,2,4-trimethoxy-5-(1-phenylprop-1-en-2-yl)benzene
CID 91348140
1-methyl-2-[3-(2-methylphenyl)but-2-enyl]benzene
CID 54424619

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(1-phenylprop-1-en-2-yl)benzene?
The IUPAC name of 1-methyl-2-(1-phenylprop-1-en-2-yl)benzene (CID 606421) is 1-methyl-2-(1-phenylprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-methyl-2-(1-phenylprop-1-en-2-yl)benzene?
The canonical SMILES for 1-methyl-2-(1-phenylprop-1-en-2-yl)benzene is CC(=Cc1ccccc1)c1ccccc1C.
What is the InChIKey of 1-methyl-2-(1-phenylprop-1-en-2-yl)benzene?
The InChIKey is FBDFQOWEJJZDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16/c1-13-8-6-7-11-16(13)14(2)12-15-9-4-3-5-10-15/h3-12H,1-2H3.
What are the key properties of 1-methyl-2-(1-phenylprop-1-en-2-yl)benzene?
1-methyl-2-(1-phenylprop-1-en-2-yl)benzene has a molecular weight of 208.30 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(1-phenylprop-1-en-2-yl)benzene is sourced from PubChem (CID 606421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).