6-methyl-3a,4-dihydro-1-benzofuran

C9H10O — CID 19852976

IUPAC6-methyl-3a,4-dihydro-1-benzofuran
SMILESCC1=CCC2C=COC2=C1
InChIInChI=1S/C9H10O/c1-7-2-3-8-4-5-10-9(8)6-7/h2,4-6,8H,3H2,1H3
InChIKeyXPYQFBCFACGRDS-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.38
Rot. Bonds

About 6-methyl-3a,4-dihydro-1-benzofuran

6-methyl-3a,4-dihydro-1-benzofuran (PubChem CID 19852976) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 6-methyl-3a,4-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-methyl-3a,4-dihydro-1-benzofuran
PubChem CID19852976
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name6-methyl-3a,4-dihydro-1-benzofuran
SMILESCC1=CCC2C=COC2=C1
InChIInChI=1S/C9H10O/c1-7-2-3-8-4-5-10-9(8)6-7/h2,4-6,8H,3H2,1H3
InChIKeyXPYQFBCFACGRDS-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3a,4-dihydro-1-benzofuran?
The IUPAC name of 6-methyl-3a,4-dihydro-1-benzofuran (CID 19852976) is 6-methyl-3a,4-dihydro-1-benzofuran.
What is the SMILES notation for 6-methyl-3a,4-dihydro-1-benzofuran?
The canonical SMILES for 6-methyl-3a,4-dihydro-1-benzofuran is CC1=CCC2C=COC2=C1.
What is the InChIKey of 6-methyl-3a,4-dihydro-1-benzofuran?
The InChIKey is XPYQFBCFACGRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-7-2-3-8-4-5-10-9(8)6-7/h2,4-6,8H,3H2,1H3.
What are the key properties of 6-methyl-3a,4-dihydro-1-benzofuran?
6-methyl-3a,4-dihydro-1-benzofuran has a molecular weight of 134.18 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3a,4-dihydro-1-benzofuran is sourced from PubChem (CID 19852976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).