5-methoxy-3-methyl-2,3-dihydro-1-benzofuran

C10H12O2 — CID 102492939

IUPAC5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
SMILESCOc1ccc2c(c1)C(C)CO2
InChIInChI=1S/C10H12O2/c1-7-6-12-10-4-3-8(11-2)5-9(7)10/h3-5,7H,6H2,1-2H3
InChIKeyJGGCGHQLNDSPDT-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.19
Rot. Bonds1

About 5-methoxy-3-methyl-2,3-dihydro-1-benzofuran

5-methoxy-3-methyl-2,3-dihydro-1-benzofuran (PubChem CID 102492939) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 5-methoxy-3-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
PubChem CID102492939
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name5-methoxy-3-methyl-2,3-dihydro-1-benzofuran
SMILESCOc1ccc2c(c1)C(C)CO2
InChIInChI=1S/C10H12O2/c1-7-6-12-10-4-3-8(11-2)5-9(7)10/h3-5,7H,6H2,1-2H3
InChIKeyJGGCGHQLNDSPDT-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(difluoromethyl)-5-methoxy-2,3-dihydro-1-benzofuran
CID 125488470
O-[(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)methyl]hydroxylamine
CID 117202333
5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43511932
3-methyl-2,3-dihydro-1-benzofuran-5-thiol
CID 155261995
2-[(3S)-5-methoxy-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 129361652
5-methoxy-3-(2,2,2-trifluoroethyl)-2,3-dihydro-1-benzofuran
CID 134850979
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)propan-2-one
CID 117202321
4-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpiperidine
CID 178102409
1-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117202343
9-methoxy-2,3,4,4a,5,10b-hexahydro-1H-chromeno[4,3-b]pyridine
CID 83888852
6-methoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096800
3-(5-methoxy-2,3-dihydro-1-benzofuran-3-yl)-1-methylpyrrolidine
CID 178102600

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-methoxy-3-methyl-2,3-dihydro-1-benzofuran (CID 102492939) is 5-methoxy-3-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-methoxy-3-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-methoxy-3-methyl-2,3-dihydro-1-benzofuran is COc1ccc2c(c1)C(C)CO2.
What is the InChIKey of 5-methoxy-3-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is JGGCGHQLNDSPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-7-6-12-10-4-3-8(11-2)5-9(7)10/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-methoxy-3-methyl-2,3-dihydro-1-benzofuran?
5-methoxy-3-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 164.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 102492939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).