4,5-dimethyl-1,3-dihydro-2-benzofuran

C10H12O — CID 59398603

IUPAC4,5-dimethyl-1,3-dihydro-2-benzofuran
SMILESCc1ccc2c(c1C)COC2
InChIInChI=1S/C10H12O/c1-7-3-4-9-5-11-6-10(9)8(7)2/h3-4H,5-6H2,1-2H3
InChIKeyNBVDHXFMBOOTNB-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.33
Rot. Bonds

About 4,5-dimethyl-1,3-dihydro-2-benzofuran

4,5-dimethyl-1,3-dihydro-2-benzofuran (PubChem CID 59398603) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name4,5-dimethyl-1,3-dihydro-2-benzofuran
PubChem CID59398603
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name4,5-dimethyl-1,3-dihydro-2-benzofuran
SMILESCc1ccc2c(c1C)COC2
InChIInChI=1S/C10H12O/c1-7-3-4-9-5-11-6-10(9)8(7)2/h3-4H,5-6H2,1-2H3
InChIKeyNBVDHXFMBOOTNB-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-dihydro-2-benzofuran?
The IUPAC name of 4,5-dimethyl-1,3-dihydro-2-benzofuran (CID 59398603) is 4,5-dimethyl-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 4,5-dimethyl-1,3-dihydro-2-benzofuran?
The canonical SMILES for 4,5-dimethyl-1,3-dihydro-2-benzofuran is Cc1ccc2c(c1C)COC2.
What is the InChIKey of 4,5-dimethyl-1,3-dihydro-2-benzofuran?
The InChIKey is NBVDHXFMBOOTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-7-3-4-9-5-11-6-10(9)8(7)2/h3-4H,5-6H2,1-2H3.
What are the key properties of 4,5-dimethyl-1,3-dihydro-2-benzofuran?
4,5-dimethyl-1,3-dihydro-2-benzofuran has a molecular weight of 148.20 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 59398603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).