1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane

C33H50O12 — CID 162249384

IUPAC1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane
SMILESCCCOC.COCCOc1cc(OC)cc(OC)c1.COc1cc(O)cc(OC)c1.COc1cc(OC)cc(OCCO)c1
InChIInChI=1S/C11H16O4.C10H14O4.C8H10O3.C4H10O/c1-12-4-5-15-11-7-9(13-2)6-10(8-11)14-3;1-12-8-5-9(13-2)7-10(6-8)14-4-3-11;1-10-7-3-6(9)4-8(5-7)11-2;1-3-4-5-2/h6-8H,4-5H2,1-3H3;5-7,11H,3-4H2,1-2H3;3-5,9H,1-2H3;3-4H2,1-2H3
InChIKeyZXTYEIDXHDGKGI-UHFFFAOYSA-N
MW638.75 g/mol
LogP5.26
Rot. Bonds15

About 1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane

1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane (PubChem CID 162249384) has the molecular formula C33H50O12 and a molecular weight of 638.75 g/mol. Its IUPAC name is 1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane.

Molecular Properties

Compound Name1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane
PubChem CID162249384
Molecular FormulaC33H50O12
Molecular Weight638.75 g/mol
Exact Mass638.33
IUPAC Name1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane
SMILESCCCOC.COCCOc1cc(OC)cc(OC)c1.COc1cc(O)cc(OC)c1.COc1cc(OC)cc(OCCO)c1
InChIInChI=1S/C11H16O4.C10H14O4.C8H10O3.C4H10O/c1-12-4-5-15-11-7-9(13-2)6-10(8-11)14-3;1-12-8-5-9(13-2)7-10(6-8)14-4-3-11;1-10-7-3-6(9)4-8(5-7)11-2;1-3-4-5-2/h6-8H,4-5H2,1-3H3;5-7,11H,3-4H2,1-2H3;3-5,9H,1-2H3;3-4H2,1-2H3
InChIKeyZXTYEIDXHDGKGI-UHFFFAOYSA-N
XLogP5.26
TPSA132.76 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500638.75
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane?
The IUPAC name of 1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane (CID 162249384) is 1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane.
What is the SMILES notation for 1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane?
The canonical SMILES for 1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane is CCCOC.COCCOc1cc(OC)cc(OC)c1.COc1cc(O)cc(OC)c1.COc1cc(OC)cc(OCCO)c1.
What is the InChIKey of 1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane?
The InChIKey is ZXTYEIDXHDGKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4.C10H14O4.C8H10O3.C4H10O/c1-12-4-5-15-11-7-9(13-2)6-10(8-11)14-3;1-12-8-5-9(13-2)7-10(6-8)14-4-3-11;1-10-7-3-6(9)4-8(5-7)11-2;1-3-4-5-2/h6-8H,4-5H2,1-3H3;5-7,11H,3-4H2,1-2H3;3-5,9H,1-2H3;3-4H2,1-2H3.
What are the key properties of 1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane?
1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane has a molecular weight of 638.75 g/mol, XLogP of 5.26, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane is sourced from PubChem (CID 162249384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).