1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene

C16H16 — CID 59774135

IUPAC1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene
SMILESC/C=C/c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C16H16/c1-3-6-14-9-11-15(12-10-14)16-8-5-4-7-13(16)2/h3-12H,1-2H3/b6-3+
InChIKeyFKWNMMYAACRPOO-ZZXKWVIFSA-N
MW208.30 g/mol
LogP4.70
Rot. Bonds2

About 1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene

1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene (PubChem CID 59774135) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene
PubChem CID59774135
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene
SMILESC/C=C/c1ccc(-c2ccccc2C)cc1
InChIInChI=1S/C16H16/c1-3-6-14-9-11-15(12-10-14)16-8-5-4-7-13(16)2/h3-12H,1-2H3/b6-3+
InChIKeyFKWNMMYAACRPOO-ZZXKWVIFSA-N
XLogP4.70
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 ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene?
The IUPAC name of 1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene (CID 59774135) is 1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene?
The canonical SMILES for 1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene is C/C=C/c1ccc(-c2ccccc2C)cc1.
What is the InChIKey of 1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene?
The InChIKey is FKWNMMYAACRPOO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C16H16/c1-3-6-14-9-11-15(12-10-14)16-8-5-4-7-13(16)2/h3-12H,1-2H3/b6-3+.
What are the key properties of 1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene?
1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene has a molecular weight of 208.30 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-[(E)-prop-1-enyl]phenyl]benzene is sourced from PubChem (CID 59774135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).