2-Ethylbenzofuran

CAS: 3131-63-3 | C10H10O

2D Structure

Loading 3D structure...

CAS Registry Number

3131-63-3

SMILES

CCc1cc2ccccc2o1

InChI Key

KJHYAEZMOHLVCH-UHFFFAOYSA-N

InChI

InChI=1S/C10H10O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	146.19 g/mol	CAS Common Chemistry
	146.18899999999996 g/mol	RDKit
	146.189 g/mol	RDKit
Canonical SMILES	O1C=2C=CC=CC2C=C1CC	CAS Common Chemistry
InChI	InChI=1S/C10H10O/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7H,2H2,1H3	CAS Common Chemistry
InChI Key	InChIKey=KJHYAEZMOHLVCH-UHFFFAOYSA-N	CAS Common Chemistry
Name	2-Ethylbenzofuran	CAS Common Chemistry
Heavy Atom Count	11	RDKit
Hydrogen Bond Acceptors	1	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	1	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	13.14 Å²	RDKit
LogP	2.9952000000000014	RDKit
	2.9952	RDKit
Molar Refractivity	45.59200000000003 cm³/mol	RDKit
Ring Count	2	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.2	RDKit
Exact Mass	146.07316494 g/mol	RDKit
Boiling Point	217-218 °C @ 742 Torr	CAS Common Chemistry

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Other compounds with formula C10H10O.