1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene

C12H18O5 — CID 54272743

IUPAC1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene
SMILESCOCCOCOc1cccc(OC)c1OC
InChIInChI=1S/C12H18O5/c1-13-7-8-16-9-17-11-6-4-5-10(14-2)12(11)15-3/h4-6H,7-9H2,1-3H3
InChIKeyPBYRGBYNWWKJDE-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.70
Rot. Bonds8

About 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene

1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene (PubChem CID 54272743) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene.

Molecular Properties

Compound Name1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene
PubChem CID54272743
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene
SMILESCOCCOCOc1cccc(OC)c1OC
InChIInChI=1S/C12H18O5/c1-13-7-8-16-9-17-11-6-4-5-10(14-2)12(11)15-3/h4-6H,7-9H2,1-3H3
InChIKeyPBYRGBYNWWKJDE-UHFFFAOYSA-N
XLogP1.70
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(2-methoxyethoxymethoxy)benzene
CID 16655302
1,2-diethyl-3-(2-methoxyethoxymethoxy)benzene
CID 54400320
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
1-(2-methoxyethoxymethoxy)-2-propan-2-ylbenzene
CID 57457861
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 2,3-dimethoxybenzoate
CID 139804909
2-(2,3-dimethoxyphenoxy)-N-(3-methoxypropyl)acetamide
CID 112978341
[3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol
CID 171398166
2-[2-[5-(2-methoxyethoxy)naphthalen-1-yl]oxyethoxy]ethanol
CID 58864087
2-(4-bromophenyl)-N-[2-(2,3-dimethoxyphenoxy)ethyl]acetamide
CID 113101961
N-[2-(2,3-dimethoxyphenoxy)ethyl]-2-phenylacetamide
CID 113101933
2-[3-methoxy-4-(2-methoxyethoxymethoxy)phenyl]ethanol
CID 68603609
2-(2,3-dimethoxyphenoxy)-N'-methylacetohydrazide
CID 116820693

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene?
The IUPAC name of 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene (CID 54272743) is 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene.
What is the SMILES notation for 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene?
The canonical SMILES for 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene is COCCOCOc1cccc(OC)c1OC.
What is the InChIKey of 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene?
The InChIKey is PBYRGBYNWWKJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-13-7-8-16-9-17-11-6-4-5-10(14-2)12(11)15-3/h4-6H,7-9H2,1-3H3.
What are the key properties of 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene?
1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene has a molecular weight of 242.27 g/mol, XLogP of 1.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-3-(2-methoxyethoxymethoxy)benzene is sourced from PubChem (CID 54272743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).