1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene

C22H38O2 — CID 123795245

IUPAC1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
SMILESCOC(COc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C22H38O2/c1-16(2)20(23-9)15-24-18-12-10-17(11-13-18)19(22(6,7)8)14-21(3,4)5/h10-13,16,19-20H,14-15H2,1-9H3
InChIKeyQLBVUMKOVXVNQG-UHFFFAOYSA-N
MW334.54 g/mol
LogP6.30
Rot. Bonds7

About 1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene

1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene (PubChem CID 123795245) has the molecular formula C22H38O2 and a molecular weight of 334.54 g/mol. Its IUPAC name is 1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene.

Molecular Properties

Compound Name1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
PubChem CID123795245
Molecular FormulaC22H38O2
Molecular Weight334.54 g/mol
Exact Mass334.29
IUPAC Name1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
SMILESCOC(COc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1)C(C)C
InChIInChI=1S/C22H38O2/c1-16(2)20(23-9)15-24-18-12-10-17(11-13-18)19(22(6,7)8)14-21(3,4)5/h10-13,16,19-20H,14-15H2,1-9H3
InChIKeyQLBVUMKOVXVNQG-UHFFFAOYSA-N
XLogP6.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.54
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)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-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
1-(1-phenylethoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 91223677
2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
2,2-dimethyl-1-[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]propan-1-ol
CID 130269359
methyl 4-(2,2,5,5-tetramethylhexan-3-yl)benzoate
CID 71131717
1-(bromomethyl)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 123665434
1-methyl-4-[(2S)-2,4,4-trimethylpentoxy]benzene
CID 90455432
ethane;[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]methanamine
CID 143183625
2,2,3,3,3-pentafluoropropyl 2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenoxy]acetate
CID 89078877
1-[4-[(1R)-1-hydroxyethyl]phenoxy]-3,3-dimethylbutan-2-ol
CID 114265284
1-prop-1-en-2-yl-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 90871361
4-[3,5-bis(methoxymethyl)-4-[2-[4-(2,2,5,5-tetramethylhexan-3-yl)phenoxy]ethoxy]phenyl]-2,6-bis(methoxymethyl)phenol
CID 123395177

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The IUPAC name of 1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene (CID 123795245) is 1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene.
What is the SMILES notation for 1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The canonical SMILES for 1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene is COC(COc1ccc(C(CC(C)(C)C)C(C)(C)C)cc1)C(C)C.
What is the InChIKey of 1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
The InChIKey is QLBVUMKOVXVNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38O2/c1-16(2)20(23-9)15-24-18-12-10-17(11-13-18)19(22(6,7)8)14-21(3,4)5/h10-13,16,19-20H,14-15H2,1-9H3.
What are the key properties of 1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene?
1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene has a molecular weight of 334.54 g/mol, XLogP of 6.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3-methylbutoxy)-4-(2,2,5,5-tetramethylhexan-3-yl)benzene is sourced from PubChem (CID 123795245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).