1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene

C19H22O4 — CID 141151486

IUPAC1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene
SMILESCOc1ccc(CC=Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22O4/c1-20-16-10-8-14(9-11-16)6-5-7-15-12-17(21-2)19(23-4)18(13-15)22-3/h5,7-13H,6H2,1-4H3
InChIKeyRKRHKFJESDJBCK-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.98
Rot. Bonds7

About 1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene

1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene (PubChem CID 141151486) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene
PubChem CID141151486
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene
SMILESCOc1ccc(CC=Cc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22O4/c1-20-16-10-8-14(9-11-16)6-5-7-15-12-17(21-2)19(23-4)18(13-15)22-3/h5,7-13H,6H2,1-4H3
InChIKeyRKRHKFJESDJBCK-UHFFFAOYSA-N
XLogP3.98
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
1,2-dimethoxy-4-[(E)-3-(4-methoxyphenyl)prop-2-enyl]benzene
CID 46231236
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 101485865
5-[(E)-2-[4-(bromomethyl)phenyl]ethenyl]-1,2,3-trimethoxybenzene
CID 102253112
1,2,3-trimethoxy-5-[(Z)-4-(4-methoxyphenyl)but-1-en-3-ynyl]benzene
CID 11587853
5-[(Z)-5-bromopent-1-enyl]-1,2,3-trimethoxybenzene
CID 67644714
5-[2-(4-butoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 86208123
N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-methoxybenzenesulfonamide
CID 121304384
1,2,3-trimethoxy-5-[2-[3-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 171715581
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
1,2,3-trimethoxy-5-[(4-methoxyphenyl)methylsulfinyl]benzene
CID 10215306

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene (CID 141151486) is 1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene is COc1ccc(CC=Cc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene?
The InChIKey is RKRHKFJESDJBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-20-16-10-8-14(9-11-16)6-5-7-15-12-17(21-2)19(23-4)18(13-15)22-3/h5,7-13H,6H2,1-4H3.
What are the key properties of 1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene?
1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene has a molecular weight of 314.38 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-5-[3-(4-methoxyphenyl)prop-1-enyl]benzene is sourced from PubChem (CID 141151486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).