1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene

C12H16O3 — CID 162908621

IUPAC1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene
SMILESC=C[C@@H](OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H16O3/c1-5-10(13-2)9-6-7-11(14-3)12(8-9)15-4/h5-8,10H,1H2,2-4H3/t10-/m1/s1
InChIKeyDARGUPSDBIBHDD-SNVBAGLBSA-N
MW208.26 g/mol
LogP2.58
Rot. Bonds5

About 1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene

1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene (PubChem CID 162908621) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene
PubChem CID162908621
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene
SMILESC=C[C@@H](OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H16O3/c1-5-10(13-2)9-6-7-11(14-3)12(8-9)15-4/h5-8,10H,1H2,2-4H3/t10-/m1/s1
InChIKeyDARGUPSDBIBHDD-SNVBAGLBSA-N
XLogP2.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3,4-dimethoxyphenyl)but-3-enoate
CID 143227806
2-(3,4-dimethoxyphenyl)but-3-enoic acid;ethene
CID 143227697
4-[(1S)-1-[(1R)-2-chloro-1-(3,4-dimethoxyphenyl)-2-nitropropoxy]prop-2-enyl]-1,2-dimethoxybenzene
CID 101414693
(1S)-1-(3,4-dimethoxyphenyl)but-3-en-1-amine
CID 11521312
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
1,2,2-tris(3,4-dimethoxyphenyl)ethanamine
CID 11396841
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350
1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
CID 43200540
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene
CID 71422189
3-(3,4-dimethoxyphenyl)pentane-1,5-diol
CID 15691833
4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene
CID 6424872

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene?
The IUPAC name of 1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene (CID 162908621) is 1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene.
What is the SMILES notation for 1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene?
The canonical SMILES for 1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene is C=C[C@@H](OC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene?
The InChIKey is DARGUPSDBIBHDD-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16O3/c1-5-10(13-2)9-6-7-11(14-3)12(8-9)15-4/h5-8,10H,1H2,2-4H3/t10-/m1/s1.
What are the key properties of 1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene?
1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene has a molecular weight of 208.26 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[(1R)-1-methoxyprop-2-enyl]benzene is sourced from PubChem (CID 162908621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).