4-ethyl-2,3-dimethyl-1-benzofuran

C12H14O — CID 121007664

IUPAC4-ethyl-2,3-dimethyl-1-benzofuran
SMILESCCc1cccc2oc(C)c(C)c12
InChIInChI=1S/C12H14O/c1-4-10-6-5-7-11-12(10)8(2)9(3)13-11/h5-7H,4H2,1-3H3
InChIKeyULHVRNSKAPGWIV-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.61
Rot. Bonds1

About 4-ethyl-2,3-dimethyl-1-benzofuran

4-ethyl-2,3-dimethyl-1-benzofuran (PubChem CID 121007664) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-ethyl-2,3-dimethyl-1-benzofuran.

Molecular Properties

Compound Name4-ethyl-2,3-dimethyl-1-benzofuran
PubChem CID121007664
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name4-ethyl-2,3-dimethyl-1-benzofuran
SMILESCCc1cccc2oc(C)c(C)c12
InChIInChI=1S/C12H14O/c1-4-10-6-5-7-11-12(10)8(2)9(3)13-11/h5-7H,4H2,1-3H3
InChIKeyULHVRNSKAPGWIV-UHFFFAOYSA-N
XLogP3.61
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one
CID 70447716
2,3-dimethyl-1-benzofuran-4-carbonitrile
CID 82653298
3-bromo-2,5-diethylchromen-4-one
CID 145057358
1,7-diethyldibenzofuran
CID 135251716
2,3-dimethyl-1-benzofuran;ethane
CID 142047308
4-ethyl-1,2-benzoxazol-3-one
CID 125426106
3-amino-4-ethyl-1-benzofuran-2-carboxylic acid
CID 66733988
5-ethyl-[1]benzofuro[2,3-b]pyridine
CID 143904275
4-ethylxanthen-9-one
CID 15075530
4-(methoxymethyl)-3-methyl-1-benzofuran-2-carboxylic acid
CID 68711320
2-chloro-8-ethyl-1-methylnaphthalene
CID 164922444
4-ethyl-1,2,3-trimethylindole
CID 118253289

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dimethyl-1-benzofuran?
The IUPAC name of 4-ethyl-2,3-dimethyl-1-benzofuran (CID 121007664) is 4-ethyl-2,3-dimethyl-1-benzofuran.
What is the SMILES notation for 4-ethyl-2,3-dimethyl-1-benzofuran?
The canonical SMILES for 4-ethyl-2,3-dimethyl-1-benzofuran is CCc1cccc2oc(C)c(C)c12.
What is the InChIKey of 4-ethyl-2,3-dimethyl-1-benzofuran?
The InChIKey is ULHVRNSKAPGWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-4-10-6-5-7-11-12(10)8(2)9(3)13-11/h5-7H,4H2,1-3H3.
What are the key properties of 4-ethyl-2,3-dimethyl-1-benzofuran?
4-ethyl-2,3-dimethyl-1-benzofuran has a molecular weight of 174.24 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dimethyl-1-benzofuran is sourced from PubChem (CID 121007664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).