5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran

C12H16O2 — CID 159719962

IUPAC5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran
SMILESCOCc1c(C)cc2c(c1C)CCO2
InChIInChI=1S/C12H16O2/c1-8-6-12-10(4-5-14-12)9(2)11(8)7-13-3/h6H,4-5,7H2,1-3H3
InChIKeyMZXHBRBYTNHETA-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.38
Rot. Bonds2

About 5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran

5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran (PubChem CID 159719962) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran
PubChem CID159719962
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran
SMILESCOCc1c(C)cc2c(c1C)CCO2
InChIInChI=1S/C12H16O2/c1-8-6-12-10(4-5-14-12)9(2)11(8)7-13-3/h6H,4-5,7H2,1-3H3
InChIKeyMZXHBRBYTNHETA-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran (CID 159719962) is 5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran is COCc1c(C)cc2c(c1C)CCO2.
What is the InChIKey of 5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran?
The InChIKey is MZXHBRBYTNHETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-6-12-10(4-5-14-12)9(2)11(8)7-13-3/h6H,4-5,7H2,1-3H3.
What are the key properties of 5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran?
5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran has a molecular weight of 192.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-4,6-dimethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 159719962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).