1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene

C17H18 — CID 170552806

IUPAC1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1cc(C)c(-c2ccccc2)cc1C
InChIInChI=1S/C17H18/c1-4-8-16-11-14(3)17(12-13(16)2)15-9-6-5-7-10-15/h4-12H,1-3H3/b8-4+
InChIKeyMYSIMUQZPHLIFJ-XBXARRHUSA-N
MW222.33 g/mol
LogP5.00
Rot. Bonds2

About 1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene

1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene (PubChem CID 170552806) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene
PubChem CID170552806
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1cc(C)c(-c2ccccc2)cc1C
InChIInChI=1S/C17H18/c1-4-8-16-11-14(3)17(12-13(16)2)15-9-6-5-7-10-15/h4-12H,1-3H3/b8-4+
InChIKeyMYSIMUQZPHLIFJ-XBXARRHUSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.33
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dimethyl-2,5-bis[(Z)-prop-1-enyl]benzene;ethane
CID 142173958
1-phenyl-2-[(Z)-prop-1-enyl]benzene
CID 143027726
(E)-2-[2,5-dimethyl-4-[(E)-prop-1-enyl]phenyl]ethenol
CID 143980341
1,2,4-trimethyl-5-[(E)-2-[3-(4-methylphenyl)-4-[(E)-2-[3-(3-methylphenyl)-4-[(E)-prop-1-enyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 59372035
CID 153339822
CID 153339822
2-(4-methyl-5-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 146397355
1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375
(E)-3-(2,5-dimethyl-4-phenylphenyl)-2-methyl-N-propan-2-ylprop-2-enamide
CID 59031498
ethane;1-methyl-2-[(Z)-prop-1-enyl]benzene
CID 145388668
3,6,9,9-tetramethyl-2-phenyl-7-(3,6,9,9-tetramethyl-7-phenylfluoren-2-yl)fluorene
CID 59782340
[4-[diphenyl(prop-1-enyl)silyl]phenyl]-diphenyl-[2-(2,4,5-trimethylphenyl)ethenyl]silane
CID 59974310
ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid
CID 143366307

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene (CID 170552806) is 1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene is C/C=C/c1cc(C)c(-c2ccccc2)cc1C.
What is the InChIKey of 1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene?
The InChIKey is MYSIMUQZPHLIFJ-XBXARRHUSA-N. The full InChI is InChI=1S/C17H18/c1-4-8-16-11-14(3)17(12-13(16)2)15-9-6-5-7-10-15/h4-12H,1-3H3/b8-4+.
What are the key properties of 1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene?
1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene has a molecular weight of 222.33 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-phenyl-5-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 170552806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).