1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene

C18H20O2 — CID 10707027

IUPAC1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene
SMILESCOc1cc(/C=C(\C)c2ccccc2)c(OC)cc1C
InChIInChI=1S/C18H20O2/c1-13(15-8-6-5-7-9-15)10-16-12-17(19-3)14(2)11-18(16)20-4/h5-12H,1-4H3/b13-10+
InChIKeySRMHUBPJNABAQV-JLHYYAGUSA-N
MW268.36 g/mol
LogP4.57
Rot. Bonds4

About 1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene

1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene (PubChem CID 10707027) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene
PubChem CID10707027
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene
SMILESCOc1cc(/C=C(\C)c2ccccc2)c(OC)cc1C
InChIInChI=1S/C18H20O2/c1-13(15-8-6-5-7-9-15)10-16-12-17(19-3)14(2)11-18(16)20-4/h5-12H,1-4H3/b13-10+
InChIKeySRMHUBPJNABAQV-JLHYYAGUSA-N
XLogP4.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dimethoxy-4-methylphenyl)-2-methylprop-2-enenitrile
CID 59062076
2,4-dimethoxy-1-[2-(4-methylphenyl)prop-1-enyl]benzene
CID 59073216
1-methoxy-5-methyl-2-[(E)-2-nitroprop-1-enyl]-4-phenylmethoxybenzene
CID 124644927
1,3-dimethoxy-5-[(E)-2-phenylprop-1-enyl]-2-propylbenzene
CID 70001014
2-[(E)-1-(4-fluorophenyl)-2-[4-[(Z)-2-(4-fluorophenyl)prop-1-enyl]-2,5-dimethoxyphenyl]ethenyl]-6-methylnaphthalene
CID 59972363
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
(E)-3-(2,5-dimethoxy-4-methylphenyl)prop-2-en-1-ol
CID 10512550
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
(E)-3-(4,5-dimethoxy-2-methylphenyl)-2-methylprop-2-enoic acid
CID 116866139
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
(2-hydroxy-5-methoxy-4-methylphenyl)-phenylmethanone;methane
CID 175255493
N-[2-(2,5-dimethoxy-4-methylphenyl)ethenyl]-N-oxidohydroxylamine
CID 163177021

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene?
The IUPAC name of 1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene (CID 10707027) is 1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene.
What is the SMILES notation for 1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene?
The canonical SMILES for 1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene is COc1cc(/C=C(\C)c2ccccc2)c(OC)cc1C.
What is the InChIKey of 1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene?
The InChIKey is SRMHUBPJNABAQV-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H20O2/c1-13(15-8-6-5-7-9-15)10-16-12-17(19-3)14(2)11-18(16)20-4/h5-12H,1-4H3/b13-10+.
What are the key properties of 1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene?
1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene has a molecular weight of 268.36 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-methyl-5-[(E)-2-phenylprop-1-enyl]benzene is sourced from PubChem (CID 10707027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).