1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene

C13H20O2 — CID 58531244

IUPAC1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene
SMILESCOCCOc1cccc(CC(C)C)c1
InChIInChI=1S/C13H20O2/c1-11(2)9-12-5-4-6-13(10-12)15-8-7-14-3/h4-6,10-11H,7-9H2,1-3H3
InChIKeyHZXADFDXYDMVRR-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.91
Rot. Bonds6

About 1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene

1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene (PubChem CID 58531244) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene
PubChem CID58531244
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene
SMILESCOCCOc1cccc(CC(C)C)c1
InChIInChI=1S/C13H20O2/c1-11(2)9-12-5-4-6-13(10-12)15-8-7-14-3/h4-6,10-11H,7-9H2,1-3H3
InChIKeyHZXADFDXYDMVRR-UHFFFAOYSA-N
XLogP2.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene 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

1-(2,2-dideuterio-3-methylbutoxy)-3-(2-methylpropyl)benzene
CID 176775292
ethane;1-ethyl-3-(2-methoxyethoxy)benzene
CID 143725382
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-2-amine
CID 62455428
(2S)-2-(benzhydrylideneamino)-3-[3-(2-methoxyethoxy)phenyl]propanoic acid
CID 174162078
N-[[3-(2-methoxyethoxy)phenyl]methyl]propan-1-amine
CID 39246100
N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-methylpropan-2-amine
CID 54847698
1-[3-(methoxymethoxy)phenyl]propan-2-amine
CID 55253645
4-[2-[3-(2-methylpropyl)phenoxy]ethyl]piperidine
CID 20751393
(2R)-1-(3-butoxyphenyl)propan-2-amine
CID 171719991
N-[[3-[2-(2-methoxyethoxy)ethoxy]phenyl]methyl]propan-1-amine
CID 62455235
3-methoxy-1-[3-(2-methylpropyl)phenyl]propan-1-one
CID 116543141
1-[3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-2-amine
CID 112591169

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene?
The IUPAC name of 1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene (CID 58531244) is 1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene.
What is the SMILES notation for 1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene?
The canonical SMILES for 1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene is COCCOc1cccc(CC(C)C)c1.
What is the InChIKey of 1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene?
The InChIKey is HZXADFDXYDMVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-11(2)9-12-5-4-6-13(10-12)15-8-7-14-3/h4-6,10-11H,7-9H2,1-3H3.
What are the key properties of 1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene?
1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene has a molecular weight of 208.30 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-3-(2-methylpropyl)benzene is sourced from PubChem (CID 58531244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).