1-methoxy-2-(1-methoxyethyl)-4-methylbenzene

C11H16O2 — CID 71396401

IUPAC1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
SMILESCOc1ccc(C)cc1C(C)OC
InChIInChI=1S/C11H16O2/c1-8-5-6-11(13-4)10(7-8)9(2)12-3/h5-7,9H,1-4H3
InChIKeyRKOBAHDNXWOYQV-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.71
Rot. Bonds3

About 1-methoxy-2-(1-methoxyethyl)-4-methylbenzene

1-methoxy-2-(1-methoxyethyl)-4-methylbenzene (PubChem CID 71396401) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methoxy-2-(1-methoxyethyl)-4-methylbenzene.

Molecular Properties

Compound Name1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
PubChem CID71396401
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
SMILESCOc1ccc(C)cc1C(C)OC
InChIInChI=1S/C11H16O2/c1-8-5-6-11(13-4)10(7-8)9(2)12-3/h5-7,9H,1-4H3
InChIKeyRKOBAHDNXWOYQV-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methoxy-2-(1-methoxyethyl)-4-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

[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
2-(1-chloropropan-2-yl)-1-methoxy-4-methylbenzene
CID 13450101
1,2,4-trimethoxy-5-(1-methoxyethyl)benzene
CID 91567159
2-(1-chloro-3-methylbutan-2-yl)-1-methoxy-4-methylbenzene
CID 82081064
1-(2-methoxy-5-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933048
imino-[1-(2-methoxy-5-methylphenyl)ethyl]-λ3-iodane
CID 20737116
2-(1-bromo-2,2-difluoroethyl)-1-methoxy-4-methylbenzene
CID 103514543
3-amino-1-(2-methoxy-5-methylphenyl)butan-1-ol
CID 81462431
2-[(Z)-hex-4-en-2-yl]-1-methoxy-4-methylbenzene
CID 83933072
[1-(2-methoxy-5-methylphenyl)-2,3-dimethylbutyl]hydrazine
CID 105303561
2-(2-methoxy-5-methylphenyl)pentan-3-one
CID 79308264
2-cyclopropyl-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83155175

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(1-methoxyethyl)-4-methylbenzene?
The IUPAC name of 1-methoxy-2-(1-methoxyethyl)-4-methylbenzene (CID 71396401) is 1-methoxy-2-(1-methoxyethyl)-4-methylbenzene.
What is the SMILES notation for 1-methoxy-2-(1-methoxyethyl)-4-methylbenzene?
The canonical SMILES for 1-methoxy-2-(1-methoxyethyl)-4-methylbenzene is COc1ccc(C)cc1C(C)OC.
What is the InChIKey of 1-methoxy-2-(1-methoxyethyl)-4-methylbenzene?
The InChIKey is RKOBAHDNXWOYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-5-6-11(13-4)10(7-8)9(2)12-3/h5-7,9H,1-4H3.
What are the key properties of 1-methoxy-2-(1-methoxyethyl)-4-methylbenzene?
1-methoxy-2-(1-methoxyethyl)-4-methylbenzene has a molecular weight of 180.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(1-methoxyethyl)-4-methylbenzene is sourced from PubChem (CID 71396401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).