1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene

C15H24O — CID 158477998

IUPAC1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene
SMILESCc1ccccc1OCC(C)(C)C(C)(C)C
InChIInChI=1S/C15H24O/c1-12-9-7-8-10-13(12)16-11-15(5,6)14(2,3)4/h7-10H,11H2,1-6H3
InChIKeyBMJRJKFIORAIGL-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.45
Rot. Bonds3

About 1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene

1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene (PubChem CID 158477998) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene.

Molecular Properties

Compound Name1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene
PubChem CID158477998
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene
SMILESCc1ccccc1OCC(C)(C)C(C)(C)C
InChIInChI=1S/C15H24O/c1-12-9-7-8-10-13(12)16-11-15(5,6)14(2,3)4/h7-10H,11H2,1-6H3
InChIKeyBMJRJKFIORAIGL-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-2-(2,2,3,3-tetramethylbutoxy)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

ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
CID 177208153
N,2-dimethyl-1-(2-methylphenoxy)propan-2-amine
CID 82125739
2,2-dimethyl-3-(2-methylphenoxy)propanethioamide
CID 82080504
N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine
CID 79626871
1,2-bis(2,2-dimethylpropoxy)benzene
CID 15508253
2-methyl-3-(2-methylphenoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64802104
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
1-methyl-2-(2-methylprop-2-enoxy)benzene
CID 4157656
N,2-dimethyl-4-(2-methylphenoxy)butan-2-amine
CID 94681294
ethene;(2-methylphenoxy)methanamine
CID 174405951
methane;1-methyl-2-[(2-methylphenoxy)methoxy]benzene;1,4-xylene
CID 162159087
3,3-dimethyl-2-[(2-methylphenoxy)methyl]butan-1-amine
CID 117242353

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene?
The IUPAC name of 1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene (CID 158477998) is 1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene.
What is the SMILES notation for 1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene?
The canonical SMILES for 1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene is Cc1ccccc1OCC(C)(C)C(C)(C)C.
What is the InChIKey of 1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene?
The InChIKey is BMJRJKFIORAIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-12-9-7-8-10-13(12)16-11-15(5,6)14(2,3)4/h7-10H,11H2,1-6H3.
What are the key properties of 1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene?
1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene has a molecular weight of 220.36 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene is sourced from PubChem (CID 158477998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).