1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene

C12H18O2 — CID 6428964

IUPAC1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)cc(OC)c1C
InChIInChI=1S/C12H18O2/c1-8(2)10-6-11(13-4)9(3)12(7-10)14-5/h6-8H,1-5H3
InChIKeyRWENJYLCELUBAE-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.14
Rot. Bonds3

About 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene

1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene (PubChem CID 6428964) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene.

Molecular Properties

Compound Name1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene
PubChem CID6428964
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene
SMILESCOc1cc(C(C)C)cc(OC)c1C
InChIInChI=1S/C12H18O2/c1-8(2)10-6-11(13-4)9(3)12(7-10)14-5/h6-8H,1-5H3
InChIKeyRWENJYLCELUBAE-UHFFFAOYSA-N
XLogP3.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene?
The IUPAC name of 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene (CID 6428964) is 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene.
What is the SMILES notation for 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene?
The canonical SMILES for 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene is COc1cc(C(C)C)cc(OC)c1C.
What is the InChIKey of 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene?
The InChIKey is RWENJYLCELUBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-8(2)10-6-11(13-4)9(3)12(7-10)14-5/h6-8H,1-5H3.
What are the key properties of 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene?
1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene has a molecular weight of 194.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene is sourced from PubChem (CID 6428964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).