6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran

C12H16O — CID 163396140

IUPAC6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)OCC2C(C)C
InChIInChI=1S/C12H16O/c1-8(2)11-7-13-12-6-9(3)4-5-10(11)12/h4-6,8,11H,7H2,1-3H3
InChIKeyUPXLIEAXPPPFNQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.13
Rot. Bonds1

About 6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran

6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran (PubChem CID 163396140) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran
PubChem CID163396140
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran
SMILESCc1ccc2c(c1)OCC2C(C)C
InChIInChI=1S/C12H16O/c1-8(2)11-7-13-12-6-9(3)4-5-10(11)12/h4-6,8,11H,7H2,1-3H3
InChIKeyUPXLIEAXPPPFNQ-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran?
The IUPAC name of 6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran (CID 163396140) is 6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran is Cc1ccc2c(c1)OCC2C(C)C.
What is the InChIKey of 6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran?
The InChIKey is UPXLIEAXPPPFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-8(2)11-7-13-12-6-9(3)4-5-10(11)12/h4-6,8,11H,7H2,1-3H3.
What are the key properties of 6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran?
6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran has a molecular weight of 176.26 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 163396140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).