butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene

C17H30O — CID 144898289

IUPACbutane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
SMILESCCC(C)Cc1cc(C)ccc1OC.CCCC
InChIInChI=1S/C13H20O.C4H10/c1-5-10(2)8-12-9-11(3)6-7-13(12)14-4;1-3-4-2/h6-7,9-10H,5,8H2,1-4H3;3-4H2,1-2H3
InChIKeyNJHXWUGTNUTBLG-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.40
Rot. Bonds5

About butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene

butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene (PubChem CID 144898289) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene.

Molecular Properties

Compound Namebutane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
PubChem CID144898289
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Namebutane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
SMILESCCC(C)Cc1cc(C)ccc1OC.CCCC
InChIInChI=1S/C13H20O.C4H10/c1-5-10(2)8-12-9-11(3)6-7-13(12)14-4;1-3-4-2/h6-7,9-10H,5,8H2,1-4H3;3-4H2,1-2H3
InChIKeyNJHXWUGTNUTBLG-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze butane;1-methoxy-4-methyl-2-(2-methylbutyl)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

3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene
CID 63470462
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
CID 171593330
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-2-ol
CID 63895461
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
1-(2-methoxy-5-methylphenyl)hexane-2,3-diol
CID 103454840
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
3-(2-methoxy-5-methylphenyl)-2-methylpropanal
CID 64666639
1-(2-methoxy-5-methylphenyl)-N-propan-2-ylhexan-2-amine
CID 79412348
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019

Frequently Asked Questions

What is the IUPAC name of butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene?
The IUPAC name of butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene (CID 144898289) is butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene.
What is the SMILES notation for butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene?
The canonical SMILES for butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene is CCC(C)Cc1cc(C)ccc1OC.CCCC.
What is the InChIKey of butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene?
The InChIKey is NJHXWUGTNUTBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O.C4H10/c1-5-10(2)8-12-9-11(3)6-7-13(12)14-4;1-3-4-2/h6-7,9-10H,5,8H2,1-4H3;3-4H2,1-2H3.
What are the key properties of butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene?
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene has a molecular weight of 250.43 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene is sourced from PubChem (CID 144898289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).