1-methoxy-3-methyl-5-(3-methylbutyl)benzene

C13H20O — CID 123700124

IUPAC1-methoxy-3-methyl-5-(3-methylbutyl)benzene
SMILESCOc1cc(C)cc(CCC(C)C)c1
InChIInChI=1S/C13H20O/c1-10(2)5-6-12-7-11(3)8-13(9-12)14-4/h7-10H,5-6H2,1-4H3
InChIKeyLNWZVTKEHNOWHT-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.59
Rot. Bonds4

About 1-methoxy-3-methyl-5-(3-methylbutyl)benzene

1-methoxy-3-methyl-5-(3-methylbutyl)benzene (PubChem CID 123700124) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-methoxy-3-methyl-5-(3-methylbutyl)benzene.

Molecular Properties

Compound Name1-methoxy-3-methyl-5-(3-methylbutyl)benzene
PubChem CID123700124
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-methoxy-3-methyl-5-(3-methylbutyl)benzene
SMILESCOc1cc(C)cc(CCC(C)C)c1
InChIInChI=1S/C13H20O/c1-10(2)5-6-12-7-11(3)8-13(9-12)14-4/h7-10H,5-6H2,1-4H3
InChIKeyLNWZVTKEHNOWHT-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

O-[2-(3-methoxy-5-methylphenyl)ethyl]hydroxylamine
CID 117278815
1-methoxy-3-(2-methoxyethyl)-5-methylbenzene
CID 91216321
1-(2-bromoethyl)-3-methoxy-5-methylbenzene
CID 174367623
ethane;1-methoxy-3-methyl-5-propylbenzene;propane
CID 176999731
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-methoxy-3-methyl-5-prop-2-ynylbenzene
CID 21060199
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 64867284
2-amino-N-[2-(3-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(trifluoromethyl)butanamide
CID 167947745
1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
1-(3-chloro-4-methoxybutyl)-3,5-dimethylbenzene
CID 62318557

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-5-(3-methylbutyl)benzene?
The IUPAC name of 1-methoxy-3-methyl-5-(3-methylbutyl)benzene (CID 123700124) is 1-methoxy-3-methyl-5-(3-methylbutyl)benzene.
What is the SMILES notation for 1-methoxy-3-methyl-5-(3-methylbutyl)benzene?
The canonical SMILES for 1-methoxy-3-methyl-5-(3-methylbutyl)benzene is COc1cc(C)cc(CCC(C)C)c1.
What is the InChIKey of 1-methoxy-3-methyl-5-(3-methylbutyl)benzene?
The InChIKey is LNWZVTKEHNOWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10(2)5-6-12-7-11(3)8-13(9-12)14-4/h7-10H,5-6H2,1-4H3.
What are the key properties of 1-methoxy-3-methyl-5-(3-methylbutyl)benzene?
1-methoxy-3-methyl-5-(3-methylbutyl)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-5-(3-methylbutyl)benzene is sourced from PubChem (CID 123700124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).