1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene

C18H20O3 — CID 46231236

IUPAC1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
SMILESCOc1ccc(/C=C/Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20O3/c1-19-16-10-7-14(8-11-16)5-4-6-15-9-12-17(20-2)18(13-15)21-3/h4-5,7-13H,6H2,1-3H3/b5-4+
InChIKeyNWFGXKDRWBXKGC-SNAWJCMRSA-N
MW284.36 g/mol
LogP3.97
Rot. Bonds6

About 1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene

1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene (PubChem CID 46231236) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
PubChem CID46231236
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
SMILESCOc1ccc(/C=C/Cc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20O3/c1-19-16-10-7-14(8-11-16)5-4-6-15-9-12-17(20-2)18(13-15)21-3/h4-5,7-13H,6H2,1-3H3/b5-4+
InChIKeyNWFGXKDRWBXKGC-SNAWJCMRSA-N
XLogP3.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 141151486
1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 101485865
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)methanamine
CID 737219
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
[5-[(E)-4-(3,4-dimethoxyphenyl)but-2-enyl]-2-methoxyphenyl]-methylideneoxidanium
CID 58000822
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
1-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 73118158
(1R,2S)-1-(3,4-dimethoxyphenyl)-2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 10904434

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene (CID 46231236) is 1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene is COc1ccc(/C=C/Cc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene?
The InChIKey is NWFGXKDRWBXKGC-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H20O3/c1-19-16-10-7-14(8-11-16)5-4-6-15-9-12-17(20-2)18(13-15)21-3/h4-5,7-13H,6H2,1-3H3/b5-4+.
What are the key properties of 1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene?
1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene has a molecular weight of 284.36 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene is sourced from PubChem (CID 46231236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).