2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene

C12H18O — CID 149196721

IUPAC2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
SMILESCOc1c(C)cc(C)cc1C(C)C
InChIInChI=1S/C12H18O/c1-8(2)11-7-9(3)6-10(4)12(11)13-5/h6-8H,1-5H3
InChIKeyXDWZXWRPLAVYCH-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.44
Rot. Bonds2

About 2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene

2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene (PubChem CID 149196721) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene.

Molecular Properties

Compound Name2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
PubChem CID149196721
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
SMILESCOc1c(C)cc(C)cc1C(C)C
InChIInChI=1S/C12H18O/c1-8(2)11-7-9(3)6-10(4)12(11)13-5/h6-8H,1-5H3
InChIKeyXDWZXWRPLAVYCH-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methoxy-3-methyl-5-propan-2-ylphenyl)methanamine
CID 84665068
2-methoxy-1,5-dimethyl-3-(3-methylhex-4-yn-2-yl)benzene
CID 83941973
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
2-methoxy-1,5-dimethyl-3-pent-4-en-2-ylbenzene
CID 83941974
1-(2-methoxy-3,5-dimethylphenyl)-1-N-methylpropane-1,2-diamine
CID 116948093
1-(2-methoxy-3,5-dimethylphenyl)-N',N'-dimethylmethanediamine
CID 116909094
O-[4-methyl-2,6-di(propan-2-yl)phenyl]hydroxylamine
CID 70814269
3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 116938050
1-hydrazinyl-1-(2-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 116961759
1-[1-(2-methoxy-3,5-dimethylphenyl)ethyl]piperazine
CID 82296707
3-amino-3-(2-methoxy-3,5-dimethylphenyl)propan-1-ol
CID 82283950
1-(2-methoxy-3,5-dimethylphenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905593

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene?
The IUPAC name of 2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene (CID 149196721) is 2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene.
What is the SMILES notation for 2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene?
The canonical SMILES for 2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene is COc1c(C)cc(C)cc1C(C)C.
What is the InChIKey of 2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene?
The InChIKey is XDWZXWRPLAVYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-8(2)11-7-9(3)6-10(4)12(11)13-5/h6-8H,1-5H3.
What are the key properties of 2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene?
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene has a molecular weight of 178.27 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene is sourced from PubChem (CID 149196721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).