3,6-dimethyl-2-prop-1-enyl-1-benzofuran

C13H14O — CID 91153270

IUPAC3,6-dimethyl-2-prop-1-enyl-1-benzofuran
SMILESCC=Cc1oc2cc(C)ccc2c1C
InChIInChI=1S/C13H14O/c1-4-5-12-10(3)11-7-6-9(2)8-13(11)14-12/h4-8H,1-3H3
InChIKeyPBZPUFPLFULXOX-UHFFFAOYSA-N
MW186.25 g/mol
LogP4.08
Rot. Bonds1

About 3,6-dimethyl-2-prop-1-enyl-1-benzofuran

3,6-dimethyl-2-prop-1-enyl-1-benzofuran (PubChem CID 91153270) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 3,6-dimethyl-2-prop-1-enyl-1-benzofuran.

Molecular Properties

Compound Name3,6-dimethyl-2-prop-1-enyl-1-benzofuran
PubChem CID91153270
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name3,6-dimethyl-2-prop-1-enyl-1-benzofuran
SMILESCC=Cc1oc2cc(C)ccc2c1C
InChIInChI=1S/C13H14O/c1-4-5-12-10(3)11-7-6-9(2)8-13(11)14-12/h4-8H,1-3H3
InChIKeyPBZPUFPLFULXOX-UHFFFAOYSA-N
XLogP4.08
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2-prop-1-enyl-1-benzofuran?
The IUPAC name of 3,6-dimethyl-2-prop-1-enyl-1-benzofuran (CID 91153270) is 3,6-dimethyl-2-prop-1-enyl-1-benzofuran.
What is the SMILES notation for 3,6-dimethyl-2-prop-1-enyl-1-benzofuran?
The canonical SMILES for 3,6-dimethyl-2-prop-1-enyl-1-benzofuran is CC=Cc1oc2cc(C)ccc2c1C.
What is the InChIKey of 3,6-dimethyl-2-prop-1-enyl-1-benzofuran?
The InChIKey is PBZPUFPLFULXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-4-5-12-10(3)11-7-6-9(2)8-13(11)14-12/h4-8H,1-3H3.
What are the key properties of 3,6-dimethyl-2-prop-1-enyl-1-benzofuran?
3,6-dimethyl-2-prop-1-enyl-1-benzofuran has a molecular weight of 186.25 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2-prop-1-enyl-1-benzofuran is sourced from PubChem (CID 91153270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).