1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene

C16H26O — CID 171593330

IUPAC1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
SMILESCOc1ccc(C)cc1CC(C(C)C)C(C)C
InChIInChI=1S/C16H26O/c1-11(2)15(12(3)4)10-14-9-13(5)7-8-16(14)17-6/h7-9,11-12,15H,10H2,1-6H3
InChIKeyNZBSDXVVKKMRMV-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.47
Rot. Bonds5

About 1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene

1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene (PubChem CID 171593330) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
PubChem CID171593330
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene
SMILESCOc1ccc(C)cc1CC(C(C)C)C(C)C
InChIInChI=1S/C16H26O/c1-11(2)15(12(3)4)10-14-9-13(5)7-8-16(14)17-6/h7-9,11-12,15H,10H2,1-6H3
InChIKeyNZBSDXVVKKMRMV-UHFFFAOYSA-N
XLogP4.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-methoxy-5-methylphenyl)-2-methylpropanal
CID 64666639
butane;1-methoxy-4-methyl-2-(2-methylbutyl)benzene
CID 144898289
4-(2-methoxy-5-methylphenyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81015516
2-[1-(2-methoxy-5-methylphenyl)propan-2-yl]propane-1,3-diamine
CID 83933019
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
3-(2-methoxy-5-methylphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62529285
1-(2-methoxy-5-methylphenyl)-5-methylhexan-2-amine
CID 55041467
2-(3-bromo-2-ethylbutyl)-1-methoxy-4-methylbenzene
CID 63470462
1-(2-methoxy-5-methylphenyl)-3-methyl-N-propylbutan-2-amine
CID 55042038
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(2-methoxy-5-methylphenyl)butan-2-amine;hydrochloride
CID 170889680
[1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-2-yl]hydrazine
CID 105203112

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene?
The IUPAC name of 1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene (CID 171593330) is 1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene.
What is the SMILES notation for 1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene?
The canonical SMILES for 1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene is COc1ccc(C)cc1CC(C(C)C)C(C)C.
What is the InChIKey of 1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene?
The InChIKey is NZBSDXVVKKMRMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-11(2)15(12(3)4)10-14-9-13(5)7-8-16(14)17-6/h7-9,11-12,15H,10H2,1-6H3.
What are the key properties of 1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene?
1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene has a molecular weight of 234.38 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-methyl-2-(3-methyl-2-propan-2-ylbutyl)benzene is sourced from PubChem (CID 171593330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).