1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene

C17H18O — CID 15305963

IUPAC1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene
SMILESCOc1ccc(C)cc1C/C=C/c1ccccc1
InChIInChI=1S/C17H18O/c1-14-11-12-17(18-2)16(13-14)10-6-9-15-7-4-3-5-8-15/h3-9,11-13H,10H2,1-2H3/b9-6+
InChIKeyDPZILMIYIXKIES-RMKNXTFCSA-N
MW238.33 g/mol
LogP4.26
Rot. Bonds4

About 1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene

1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene (PubChem CID 15305963) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene
PubChem CID15305963
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene
SMILESCOc1ccc(C)cc1C/C=C/c1ccccc1
InChIInChI=1S/C17H18O/c1-14-11-12-17(18-2)16(13-14)10-6-9-15-7-4-3-5-8-15/h3-9,11-13H,10H2,1-2H3/b9-6+
InChIKeyDPZILMIYIXKIES-RMKNXTFCSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene?
The IUPAC name of 1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene (CID 15305963) is 1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene?
The canonical SMILES for 1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene is COc1ccc(C)cc1C/C=C/c1ccccc1.
What is the InChIKey of 1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene?
The InChIKey is DPZILMIYIXKIES-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H18O/c1-14-11-12-17(18-2)16(13-14)10-6-9-15-7-4-3-5-8-15/h3-9,11-13H,10H2,1-2H3/b9-6+.
What are the key properties of 1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene?
1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene has a molecular weight of 238.33 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-2-[(E)-3-phenylprop-2-enyl]benzene is sourced from PubChem (CID 15305963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).