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

C14H22O4 — CID 146004697

IUPAC2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene
SMILESCCOC(Cc1cc(OC)ccc1OC)OCC
InChIInChI=1S/C14H22O4/c1-5-17-14(18-6-2)10-11-9-12(15-3)7-8-13(11)16-4/h7-9,14H,5-6,10H2,1-4H3
InChIKeyBPMAXUWTQRDXON-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.65
Rot. Bonds8

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

2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene (PubChem CID 146004697) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene
PubChem CID146004697
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene
SMILESCCOC(Cc1cc(OC)ccc1OC)OCC
InChIInChI=1S/C14H22O4/c1-5-17-14(18-6-2)10-11-9-12(15-3)7-8-13(11)16-4/h7-9,14H,5-6,10H2,1-4H3
InChIKeyBPMAXUWTQRDXON-UHFFFAOYSA-N
XLogP2.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol
CID 116930738
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
2-(ethoxymethyl)-1,4-dimethoxybenzene
CID 12068886
3-(2,5-dimethoxyphenyl)-2-methylpropane-1-thiol
CID 83938199
1-(2,5-dimethoxyphenyl)-4-methylpentan-2-amine
CID 62755079
1,4-dimethoxy-2-(2-octadecylicosyl)benzene
CID 19875610
1-(2,5-dimethoxyphenyl)-3,3-diethoxypropan-1-one
CID 115480661
2-(2-bromo-2-methylpropyl)-1,4-dimethoxybenzene
CID 82255120
2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid
CID 84752870
N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2-methylpropan-1-amine
CID 82262391
3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82141853

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene?
The IUPAC name of 2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene (CID 146004697) is 2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene.
What is the SMILES notation for 2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene?
The canonical SMILES for 2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene is CCOC(Cc1cc(OC)ccc1OC)OCC.
What is the InChIKey of 2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene?
The InChIKey is BPMAXUWTQRDXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-5-17-14(18-6-2)10-11-9-12(15-3)7-8-13(11)16-4/h7-9,14H,5-6,10H2,1-4H3.
What are the key properties of 2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene?
2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene has a molecular weight of 254.33 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diethoxyethyl)-1,4-dimethoxybenzene is sourced from PubChem (CID 146004697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).