1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene

C11H16O3 — CID 59177626

IUPAC1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
SMILESCOCCOc1cc(C)cc(OC)c1
InChIInChI=1S/C11H16O3/c1-9-6-10(13-3)8-11(7-9)14-5-4-12-2/h6-8H,4-5H2,1-3H3
InChIKeyHPYIGFBXDBJZPZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.03
Rot. Bonds5

About 1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene

1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene (PubChem CID 59177626) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene.

Molecular Properties

Compound Name1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
PubChem CID59177626
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
SMILESCOCCOc1cc(C)cc(OC)c1
InChIInChI=1S/C11H16O3/c1-9-6-10(13-3)8-11(7-9)14-5-4-12-2/h6-8H,4-5H2,1-3H3
InChIKeyHPYIGFBXDBJZPZ-UHFFFAOYSA-N
XLogP2.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxy-5-methylphenoxy)ethanol
CID 59177464
1-butoxy-3-methoxy-5-methylbenzene
CID 118268625
1-[2-(3,5-dimethylphenoxy)ethoxy]-3,5-dimethylbenzene
CID 2944428
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
2-(3-methoxy-5-methylphenoxy)acetic acid
CID 55264388
1-methoxy-3-methyl-5-(4-methylpent-3-enoxy)benzene
CID 168878591
1-methoxy-3-(2-methoxyethyl)-5-methylbenzene
CID 91216321
1-[4-(3-methoxyphenoxy)butoxy]-3,5-dimethylbenzene
CID 2251913
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1,3-bis(2-chloroethoxy)-5-methylbenzene
CID 86221036
1,3-dimethoxy-5-(2-methoxyethoxy)benzene;3,5-dimethoxyphenol;2-(3,5-dimethoxyphenoxy)ethanol;1-methoxypropane
CID 162249384
1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene
CID 89483792

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene?
The IUPAC name of 1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene (CID 59177626) is 1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene.
What is the SMILES notation for 1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene?
The canonical SMILES for 1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene is COCCOc1cc(C)cc(OC)c1.
What is the InChIKey of 1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene?
The InChIKey is HPYIGFBXDBJZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-9-6-10(13-3)8-11(7-9)14-5-4-12-2/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene?
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene has a molecular weight of 196.25 g/mol, XLogP of 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene is sourced from PubChem (CID 59177626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).