4,7-dimethyl-3a,7a-dihydro-1-benzofuran

C10H12O — CID 90253407

IUPAC4,7-dimethyl-3a,7a-dihydro-1-benzofuran
SMILESCC1=CC=C(C)C2OC=CC12
InChIInChI=1S/C10H12O/c1-7-3-4-8(2)10-9(7)5-6-11-10/h3-6,9-10H,1-2H3
InChIKeyIIJMNEBENCUSIV-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.42
Rot. Bonds

About 4,7-dimethyl-3a,7a-dihydro-1-benzofuran

4,7-dimethyl-3a,7a-dihydro-1-benzofuran (PubChem CID 90253407) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 4,7-dimethyl-3a,7a-dihydro-1-benzofuran.

Molecular Properties

Compound Name4,7-dimethyl-3a,7a-dihydro-1-benzofuran
PubChem CID90253407
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name4,7-dimethyl-3a,7a-dihydro-1-benzofuran
SMILESCC1=CC=C(C)C2OC=CC12
InChIInChI=1S/C10H12O/c1-7-3-4-8(2)10-9(7)5-6-11-10/h3-6,9-10H,1-2H3
InChIKeyIIJMNEBENCUSIV-UHFFFAOYSA-N
XLogP2.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-3a,7a-dihydro-1-benzofuran?
The IUPAC name of 4,7-dimethyl-3a,7a-dihydro-1-benzofuran (CID 90253407) is 4,7-dimethyl-3a,7a-dihydro-1-benzofuran.
What is the SMILES notation for 4,7-dimethyl-3a,7a-dihydro-1-benzofuran?
The canonical SMILES for 4,7-dimethyl-3a,7a-dihydro-1-benzofuran is CC1=CC=C(C)C2OC=CC12.
What is the InChIKey of 4,7-dimethyl-3a,7a-dihydro-1-benzofuran?
The InChIKey is IIJMNEBENCUSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7-3-4-8(2)10-9(7)5-6-11-10/h3-6,9-10H,1-2H3.
What are the key properties of 4,7-dimethyl-3a,7a-dihydro-1-benzofuran?
4,7-dimethyl-3a,7a-dihydro-1-benzofuran has a molecular weight of 148.20 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-3a,7a-dihydro-1-benzofuran is sourced from PubChem (CID 90253407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).