2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene

C12H16O2 — CID 119094700

IUPAC2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene
SMILESC/C=C(\C)c1c(OC)cccc1OC
InChIInChI=1S/C12H16O2/c1-5-9(2)12-10(13-3)7-6-8-11(12)14-4/h5-8H,1-4H3/b9-5+
InChIKeyWMCKSDBFZOMJEC-WEVVVXLNSA-N
MW192.26 g/mol
LogP3.13
Rot. Bonds3

About 2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene

2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene (PubChem CID 119094700) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene.

Molecular Properties

Compound Name2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene
PubChem CID119094700
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene
SMILESC/C=C(\C)c1c(OC)cccc1OC
InChIInChI=1S/C12H16O2/c1-5-9(2)12-10(13-3)7-6-8-11(12)14-4/h5-8H,1-4H3/b9-5+
InChIKeyWMCKSDBFZOMJEC-WEVVVXLNSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
CID 54284542
acetyl 2,6-dimethoxybenzoate
CID 57154954
2-hydroxy-3-methoxybenzaldehyde
CID 8991
(2-acetyl-3-methoxyphenyl) acetate
CID 15090735
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
1-methoxy-2-[(E)-1-methoxyprop-1-en-2-yl]benzene
CID 67583154
(Z)-3-chloro-3-(2,6-dimethoxyphenyl)prop-2-enenitrile
CID 43155465
2-[(Z)-but-2-en-2-yl]-1,4-dimethoxybenzene
CID 10035483
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-bromo-6-methoxybenzenecarbothioamide
CID 114882804
1,2-dimethoxybenzene;dihydrochloride
CID 19834650

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene?
The IUPAC name of 2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene (CID 119094700) is 2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene.
What is the SMILES notation for 2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene?
The canonical SMILES for 2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene is C/C=C(\C)c1c(OC)cccc1OC.
What is the InChIKey of 2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene?
The InChIKey is WMCKSDBFZOMJEC-WEVVVXLNSA-N. The full InChI is InChI=1S/C12H16O2/c1-5-9(2)12-10(13-3)7-6-8-11(12)14-4/h5-8H,1-4H3/b9-5+.
What are the key properties of 2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene?
2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene has a molecular weight of 192.26 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-en-2-yl]-1,3-dimethoxybenzene is sourced from PubChem (CID 119094700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).