2-methoxy-1-methyl-3-(2-methylpropyl)benzene

C12H18O — CID 14665596

IUPAC2-methoxy-1-methyl-3-(2-methylpropyl)benzene
SMILESCOc1c(C)cccc1CC(C)C
InChIInChI=1S/C12H18O/c1-9(2)8-11-7-5-6-10(3)12(11)13-4/h5-7,9H,8H2,1-4H3
InChIKeyZLEFTSDMQKJXSD-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.20
Rot. Bonds3

About 2-methoxy-1-methyl-3-(2-methylpropyl)benzene

2-methoxy-1-methyl-3-(2-methylpropyl)benzene (PubChem CID 14665596) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-methoxy-1-methyl-3-(2-methylpropyl)benzene.

Molecular Properties

Compound Name2-methoxy-1-methyl-3-(2-methylpropyl)benzene
PubChem CID14665596
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-methoxy-1-methyl-3-(2-methylpropyl)benzene
SMILESCOc1c(C)cccc1CC(C)C
InChIInChI=1S/C12H18O/c1-9(2)8-11-7-5-6-10(3)12(11)13-4/h5-7,9H,8H2,1-4H3
InChIKeyZLEFTSDMQKJXSD-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methoxy-3-methylphenyl)propan-2-amine
CID 3029797
2-[(2-methoxy-3-methylphenyl)methyl]butanoic acid
CID 169488668
2-methoxy-3-(2-methylpropyl)benzenesulfonamide
CID 141351219
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493
(1S)-2-(2-methoxy-3-methylphenyl)-1-piperidin-4-ylethanol
CID 58870154
1-(3-chloropropyl)-2-methoxy-3-methylbenzene
CID 135743349
2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol
CID 66965840
2-methoxy-1-methyl-3-prop-2-enylbenzene;propane
CID 143927425
1-amino-4-(2-methoxy-3-methylphenyl)butan-2-ol
CID 82395060
(2-methoxy-3-methylphenyl)methyl hydrogen carbonate
CID 66777091
1-methyl-2-(2-methylphenyl)-3-(2-methylpropyl)benzene
CID 139907976
5-(2-methylpropyl)naphthalen-1-amine
CID 134233133

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-methyl-3-(2-methylpropyl)benzene?
The IUPAC name of 2-methoxy-1-methyl-3-(2-methylpropyl)benzene (CID 14665596) is 2-methoxy-1-methyl-3-(2-methylpropyl)benzene.
What is the SMILES notation for 2-methoxy-1-methyl-3-(2-methylpropyl)benzene?
The canonical SMILES for 2-methoxy-1-methyl-3-(2-methylpropyl)benzene is COc1c(C)cccc1CC(C)C.
What is the InChIKey of 2-methoxy-1-methyl-3-(2-methylpropyl)benzene?
The InChIKey is ZLEFTSDMQKJXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-9(2)8-11-7-5-6-10(3)12(11)13-4/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-methoxy-1-methyl-3-(2-methylpropyl)benzene?
2-methoxy-1-methyl-3-(2-methylpropyl)benzene has a molecular weight of 178.27 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methyl-3-(2-methylpropyl)benzene is sourced from PubChem (CID 14665596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).