4-methyl-2,3,4,5-tetrahydro-1-benzofuran

C9H12O — CID 142210898

IUPAC4-methyl-2,3,4,5-tetrahydro-1-benzofuran
SMILESCC1CC=CC2=C1CCO2
InChIInChI=1S/C9H12O/c1-7-3-2-4-9-8(7)5-6-10-9/h2,4,7H,3,5-6H2,1H3
InChIKeyMGQKLWKKVHHBLJ-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.26
Rot. Bonds

About 4-methyl-2,3,4,5-tetrahydro-1-benzofuran

4-methyl-2,3,4,5-tetrahydro-1-benzofuran (PubChem CID 142210898) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 4-methyl-2,3,4,5-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name4-methyl-2,3,4,5-tetrahydro-1-benzofuran
PubChem CID142210898
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name4-methyl-2,3,4,5-tetrahydro-1-benzofuran
SMILESCC1CC=CC2=C1CCO2
InChIInChI=1S/C9H12O/c1-7-3-2-4-9-8(7)5-6-10-9/h2,4,7H,3,5-6H2,1H3
InChIKeyMGQKLWKKVHHBLJ-UHFFFAOYSA-N
XLogP2.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3,4,5-tetrahydro-1-benzofuran?
The IUPAC name of 4-methyl-2,3,4,5-tetrahydro-1-benzofuran (CID 142210898) is 4-methyl-2,3,4,5-tetrahydro-1-benzofuran.
What is the SMILES notation for 4-methyl-2,3,4,5-tetrahydro-1-benzofuran?
The canonical SMILES for 4-methyl-2,3,4,5-tetrahydro-1-benzofuran is CC1CC=CC2=C1CCO2.
What is the InChIKey of 4-methyl-2,3,4,5-tetrahydro-1-benzofuran?
The InChIKey is MGQKLWKKVHHBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-7-3-2-4-9-8(7)5-6-10-9/h2,4,7H,3,5-6H2,1H3.
What are the key properties of 4-methyl-2,3,4,5-tetrahydro-1-benzofuran?
4-methyl-2,3,4,5-tetrahydro-1-benzofuran has a molecular weight of 136.19 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3,4,5-tetrahydro-1-benzofuran is sourced from PubChem (CID 142210898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).