1,2,4-trimethoxy-5-prop-1-enylbenzene

C12H16O3 — CID 17903

IUPAC1,2,4-trimethoxy-5-prop-1-enylbenzene
SMILESCC=Cc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3
InChIKeyRKFAZBXYICVSKP-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.75
Rot. Bonds4

About 1,2,4-trimethoxy-5-prop-1-enylbenzene

1,2,4-trimethoxy-5-prop-1-enylbenzene (PubChem CID 17903) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,2,4-trimethoxy-5-prop-1-enylbenzene.

Molecular Properties

Compound Name1,2,4-trimethoxy-5-prop-1-enylbenzene
PubChem CID17903
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1,2,4-trimethoxy-5-prop-1-enylbenzene
SMILESCC=Cc1cc(OC)c(OC)cc1OC
InChIInChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3
InChIKeyRKFAZBXYICVSKP-UHFFFAOYSA-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

1-chloro-4,5-dimethoxy-2-[(E)-prop-1-enyl]benzene
CID 46906491
[2,5-dimethoxy-4-[(E)-prop-1-enyl]phenyl]methanol
CID 90161973
(NE)-N-[[4,5-dimethoxy-2-[(E)-prop-1-enyl]phenyl]methylidene]hydroxylamine
CID 134891354
1,2,3-trimethoxy-5-[2-(2,4,5-trimethoxyphenyl)ethenyl]benzene
CID 85446251
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
CID 101045396
2,3,6-trimethoxy-5-prop-1-enylphenol
CID 85344788
N-ethyl-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-amine
CID 79347454
1,2,5-trimethoxy-3-[(E)-prop-1-enyl]benzene
CID 10443032
1,4-dimethoxy-2,5-bis[(Z)-3,3,3-trifluoroprop-1-enyl]benzene
CID 139254758
5-ethyl-4-methoxy-2-[(E)-prop-1-enyl]aniline
CID 143658622
4,7-dimethoxy-5-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 15559838

Frequently Asked Questions

What is the IUPAC name of 1,2,4-trimethoxy-5-prop-1-enylbenzene?
The IUPAC name of 1,2,4-trimethoxy-5-prop-1-enylbenzene (CID 17903) is 1,2,4-trimethoxy-5-prop-1-enylbenzene.
What is the SMILES notation for 1,2,4-trimethoxy-5-prop-1-enylbenzene?
The canonical SMILES for 1,2,4-trimethoxy-5-prop-1-enylbenzene is CC=Cc1cc(OC)c(OC)cc1OC.
What is the InChIKey of 1,2,4-trimethoxy-5-prop-1-enylbenzene?
The InChIKey is RKFAZBXYICVSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3.
What are the key properties of 1,2,4-trimethoxy-5-prop-1-enylbenzene?
1,2,4-trimethoxy-5-prop-1-enylbenzene 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 1,2,4-trimethoxy-5-prop-1-enylbenzene is sourced from PubChem (CID 17903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).