2,3-dimethyl-1-benzofuran;ethane

C14H22O — CID 142047308

IUPAC2,3-dimethyl-1-benzofuran;ethane
SMILESCC.CC.Cc1oc2ccccc2c1C
InChIInChI=1S/C10H10O.2C2H6/c1-7-8(2)11-10-6-4-3-5-9(7)10;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeySXRJSJZZPRBURW-UHFFFAOYSA-N
MW206.33 g/mol
LogP5.10
Rot. Bonds

About 2,3-dimethyl-1-benzofuran;ethane

2,3-dimethyl-1-benzofuran;ethane (PubChem CID 142047308) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2,3-dimethyl-1-benzofuran;ethane.

Molecular Properties

Compound Name2,3-dimethyl-1-benzofuran;ethane
PubChem CID142047308
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2,3-dimethyl-1-benzofuran;ethane
SMILESCC.CC.Cc1oc2ccccc2c1C
InChIInChI=1S/C10H10O.2C2H6/c1-7-8(2)11-10-6-4-3-5-9(7)10;2*1-2/h3-6H,1-2H3;2*1-2H3
InChIKeySXRJSJZZPRBURW-UHFFFAOYSA-N
XLogP5.10
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.33
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;2-methyl-1-benzofuran-3-thiol
CID 145124466
(NE)-N-(2,3-dimethylchromen-4-ylidene)hydroxylamine
CID 13062910
2-fluoro-3-methyl-1-benzofuran
CID 45090481
2,3,6,7-tetramethylfuro[2,3-f][1]benzofuran
CID 170670996
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
2-(3-methyl-1-benzofuran-2-yl)propan-2-ol
CID 116987203
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-1-benzofuran
CID 51050774
3-methyl-1-benzofuran-2-carbothioamide
CID 83591316
(E)-3-(3-methyl-1-benzofuran-2-yl)prop-2-enoic acid
CID 83591347

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-benzofuran;ethane?
The IUPAC name of 2,3-dimethyl-1-benzofuran;ethane (CID 142047308) is 2,3-dimethyl-1-benzofuran;ethane.
What is the SMILES notation for 2,3-dimethyl-1-benzofuran;ethane?
The canonical SMILES for 2,3-dimethyl-1-benzofuran;ethane is CC.CC.Cc1oc2ccccc2c1C.
What is the InChIKey of 2,3-dimethyl-1-benzofuran;ethane?
The InChIKey is SXRJSJZZPRBURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O.2C2H6/c1-7-8(2)11-10-6-4-3-5-9(7)10;2*1-2/h3-6H,1-2H3;2*1-2H3.
What are the key properties of 2,3-dimethyl-1-benzofuran;ethane?
2,3-dimethyl-1-benzofuran;ethane has a molecular weight of 206.33 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-benzofuran;ethane is sourced from PubChem (CID 142047308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).