1-methoxy-3-(propan-2-yloxymethyl)benzene

C11H16O2 — CID 23548346

IUPAC1-methoxy-3-(propan-2-yloxymethyl)benzene
SMILESCOc1cccc(COC(C)C)c1
InChIInChI=1S/C11H16O2/c1-9(2)13-8-10-5-4-6-11(7-10)12-3/h4-7,9H,8H2,1-3H3
InChIKeyDUXXMMBVXTVISE-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.62
Rot. Bonds4

About 1-methoxy-3-(propan-2-yloxymethyl)benzene

1-methoxy-3-(propan-2-yloxymethyl)benzene (PubChem CID 23548346) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methoxy-3-(propan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-methoxy-3-(propan-2-yloxymethyl)benzene
PubChem CID23548346
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-methoxy-3-(propan-2-yloxymethyl)benzene
SMILESCOc1cccc(COC(C)C)c1
InChIInChI=1S/C11H16O2/c1-9(2)13-8-10-5-4-6-11(7-10)12-3/h4-7,9H,8H2,1-3H3
InChIKeyDUXXMMBVXTVISE-UHFFFAOYSA-N
XLogP2.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(propan-2-yloxymethyl)benzene?
The IUPAC name of 1-methoxy-3-(propan-2-yloxymethyl)benzene (CID 23548346) is 1-methoxy-3-(propan-2-yloxymethyl)benzene.
What is the SMILES notation for 1-methoxy-3-(propan-2-yloxymethyl)benzene?
The canonical SMILES for 1-methoxy-3-(propan-2-yloxymethyl)benzene is COc1cccc(COC(C)C)c1.
What is the InChIKey of 1-methoxy-3-(propan-2-yloxymethyl)benzene?
The InChIKey is DUXXMMBVXTVISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9(2)13-8-10-5-4-6-11(7-10)12-3/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-methoxy-3-(propan-2-yloxymethyl)benzene?
1-methoxy-3-(propan-2-yloxymethyl)benzene has a molecular weight of 180.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(propan-2-yloxymethyl)benzene is sourced from PubChem (CID 23548346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).