1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene

C17H18 — CID 11746215

IUPAC1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene
SMILESCc1ccc(C)c(C/C=C/c2ccccc2)c1
InChIInChI=1S/C17H18/c1-14-11-12-15(2)17(13-14)10-6-9-16-7-4-3-5-8-16/h3-9,11-13H,10H2,1-2H3/b9-6+
InChIKeyCDHAHUQQPDKCNX-RMKNXTFCSA-N
MW222.33 g/mol
LogP4.56
Rot. Bonds3

About 1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene

1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene (PubChem CID 11746215) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene.

Molecular Properties

Compound Name1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene
PubChem CID11746215
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene
SMILESCc1ccc(C)c(C/C=C/c2ccccc2)c1
InChIInChI=1S/C17H18/c1-14-11-12-15(2)17(13-14)10-6-9-16-7-4-3-5-8-16/h3-9,11-13H,10H2,1-2H3/b9-6+
InChIKeyCDHAHUQQPDKCNX-RMKNXTFCSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene?
The IUPAC name of 1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene (CID 11746215) is 1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene.
What is the SMILES notation for 1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene?
The canonical SMILES for 1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene is Cc1ccc(C)c(C/C=C/c2ccccc2)c1.
What is the InChIKey of 1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene?
The InChIKey is CDHAHUQQPDKCNX-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H18/c1-14-11-12-15(2)17(13-14)10-6-9-16-7-4-3-5-8-16/h3-9,11-13H,10H2,1-2H3/b9-6+.
What are the key properties of 1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene?
1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene has a molecular weight of 222.33 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[(E)-3-phenylprop-2-enyl]benzene is sourced from PubChem (CID 11746215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).