acetylene;6-ethyl-2,3-dihydro-1-benzofuran

C12H14O — CID 174280285

IUPACacetylene;6-ethyl-2,3-dihydro-1-benzofuran
SMILESC#C.CCc1ccc2c(c1)OCC2
InChIInChI=1S/C10H12O.C2H2/c1-2-8-3-4-9-5-6-11-10(9)7-8;1-2/h3-4,7H,2,5-6H2,1H3;1-2H
InChIKeyWNVOUBDCZKBCJU-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.43
Rot. Bonds1

About acetylene;6-ethyl-2,3-dihydro-1-benzofuran

acetylene;6-ethyl-2,3-dihydro-1-benzofuran (PubChem CID 174280285) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is acetylene;6-ethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Nameacetylene;6-ethyl-2,3-dihydro-1-benzofuran
PubChem CID174280285
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Nameacetylene;6-ethyl-2,3-dihydro-1-benzofuran
SMILESC#C.CCc1ccc2c(c1)OCC2
InChIInChI=1S/C10H12O.C2H2/c1-2-8-3-4-9-5-6-11-10(9)7-8;1-2/h3-4,7H,2,5-6H2,1H3;1-2H
InChIKeyWNVOUBDCZKBCJU-UHFFFAOYSA-N
XLogP2.43
TPSA9.23 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 ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
CID 59832132
2-(2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 82415104
6-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 130750027
3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol
CID 131026060
11,24-diethyl-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
CID 3355803
8-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 130009664
2-(2,3-dihydro-1-benzofuran-6-ylmethyl)cyclopentan-1-amine
CID 82393396
6-but-1-en-2-yl-2,3-dihydro-1-benzofuran
CID 145466674
acetylene;5-ethyl-1,3-benzodioxole;2-methylpropane
CID 142810291
5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430181
2,3-dihydro-1-benzofuran;ethane;propane
CID 91022099

Frequently Asked Questions

What is the IUPAC name of acetylene;6-ethyl-2,3-dihydro-1-benzofuran?
The IUPAC name of acetylene;6-ethyl-2,3-dihydro-1-benzofuran (CID 174280285) is acetylene;6-ethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for acetylene;6-ethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for acetylene;6-ethyl-2,3-dihydro-1-benzofuran is C#C.CCc1ccc2c(c1)OCC2.
What is the InChIKey of acetylene;6-ethyl-2,3-dihydro-1-benzofuran?
The InChIKey is WNVOUBDCZKBCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O.C2H2/c1-2-8-3-4-9-5-6-11-10(9)7-8;1-2/h3-4,7H,2,5-6H2,1H3;1-2H.
What are the key properties of acetylene;6-ethyl-2,3-dihydro-1-benzofuran?
acetylene;6-ethyl-2,3-dihydro-1-benzofuran has a molecular weight of 174.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;6-ethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 174280285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).