4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene

C12H18O4 — CID 6424872

IUPAC4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene
SMILESCOCC(OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H18O4/c1-13-8-12(16-4)9-5-6-10(14-2)11(7-9)15-3/h5-7,12H,8H2,1-4H3
InChIKeyFBZUMNXNTSNNCG-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.04
Rot. Bonds6

About 4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene

4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene (PubChem CID 6424872) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene.

Molecular Properties

Compound Name4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene
PubChem CID6424872
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene
SMILESCOCC(OC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H18O4/c1-13-8-12(16-4)9-5-6-10(14-2)11(7-9)15-3/h5-7,12H,8H2,1-4H3
InChIKeyFBZUMNXNTSNNCG-UHFFFAOYSA-N
XLogP2.04
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3,4-dimethoxyphenyl)-1-methoxybutyl]-1,2-dimethoxybenzene
CID 54375064
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
3-amino-1-(3,4-dimethoxyphenyl)-4-methoxybutan-1-ol
CID 112629915
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(1R)-1-[4-[(1S)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500385
1-[4-(1,2-dimethoxyethyl)phenyl]ethanol
CID 102543604
2-[(R)-(3,4-dimethoxyphenyl)-methoxymethyl]-1,5-dimethoxy-3-(2-methoxyethoxy)benzene
CID 162867963
2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-2-methoxyethyl]acetamide
CID 70589342
1-[1-(3,4-dimethoxyphenyl)ethylamino]-3-methoxypropan-2-ol
CID 63928817
1,2-dimethoxy-4-(3-methylbutan-2-yl)benzene
CID 23378350

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene?
The IUPAC name of 4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene (CID 6424872) is 4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene.
What is the SMILES notation for 4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene?
The canonical SMILES for 4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene is COCC(OC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene?
The InChIKey is FBZUMNXNTSNNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-13-8-12(16-4)9-5-6-10(14-2)11(7-9)15-3/h5-7,12H,8H2,1-4H3.
What are the key properties of 4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene?
4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene has a molecular weight of 226.27 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dimethoxyethyl)-1,2-dimethoxybenzene is sourced from PubChem (CID 6424872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).