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

C12H16O3 — CID 20839497

IUPAC1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C12H16O3/c1-5-6-9-7-8-10(13-2)12(15-4)11(9)14-3/h5-8H,1-4H3/b6-5-
InChIKeyBWDCJRUCCWZCIY-WAYWQWQTSA-N
MW208.26 g/mol
LogP2.75
Rot. Bonds4

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

1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene (PubChem CID 20839497) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
PubChem CID20839497
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
SMILESC/C=C\c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C12H16O3/c1-5-6-9-7-8-10(13-2)12(15-4)11(9)14-3/h5-8H,1-4H3/b6-5-
InChIKeyBWDCJRUCCWZCIY-WAYWQWQTSA-N
XLogP2.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3,4-trimethoxyphenyl)prop-2-enenitrile
CID 67201767
1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
CID 53422272
1,2,3-trimethoxy-4-[(E)-2-phenylethenyl]benzene
CID 15696375
1-phenyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54454091
1-(4-hydroxyphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 3317732
1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene
CID 71322184
1-(4-bromophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 84848600
1-(2,3,4-trimethoxyphenyl)-N-[4-[(2,3,4-trimethoxyphenyl)methylideneamino]phenyl]methanimine
CID 71343645
(E)-N-(2,4-dimethylpentan-3-yl)-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6068482
(E)-5-(2,3,4-trimethoxyphenyl)pent-4-enoic acid
CID 86665806
(E)-N-ethyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-amine
CID 103092393
1-methyl-2-[(Z)-2-(2,3,4-trimethoxyphenyl)ethenyl]pyridin-1-ium
CID 92959596

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene?
The IUPAC name of 1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene (CID 20839497) is 1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene.
What is the SMILES notation for 1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene?
The canonical SMILES for 1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene is C/C=C\c1ccc(OC)c(OC)c1OC.
What is the InChIKey of 1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene?
The InChIKey is BWDCJRUCCWZCIY-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H16O3/c1-5-6-9-7-8-10(13-2)12(15-4)11(9)14-3/h5-8H,1-4H3/b6-5-.
What are the key properties of 1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene?
1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene has a molecular weight of 208.26 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene is sourced from PubChem (CID 20839497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).