7-ethyl-2,3,4,5-tetrahydro-1-benzofuran

C10H14O — CID 171630926

IUPAC7-ethyl-2,3,4,5-tetrahydro-1-benzofuran
SMILESCCC1=CCCC2=C1OCC2
InChIInChI=1S/C10H14O/c1-2-8-4-3-5-9-6-7-11-10(8)9/h4H,2-3,5-7H2,1H3
InChIKeyGKERGXRYWOONMW-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.79
Rot. Bonds1

About 7-ethyl-2,3,4,5-tetrahydro-1-benzofuran

7-ethyl-2,3,4,5-tetrahydro-1-benzofuran (PubChem CID 171630926) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 7-ethyl-2,3,4,5-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name7-ethyl-2,3,4,5-tetrahydro-1-benzofuran
PubChem CID171630926
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name7-ethyl-2,3,4,5-tetrahydro-1-benzofuran
SMILESCCC1=CCCC2=C1OCC2
InChIInChI=1S/C10H14O/c1-2-8-4-3-5-9-6-7-11-10(8)9/h4H,2-3,5-7H2,1H3
InChIKeyGKERGXRYWOONMW-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,5,7a-Tetrahydro-3,6-dimethylbenzofuran
CID 21606187
1-(1-Ethoxy-vinyl)-cyclohexene
CID 14296312
1-(1-Butoxyethenyl)cyclohexene
CID 11019469
1-[(1E)-1-ethoxybuta-1,3-dienyl]cyclohexene
CID 11229119
7-Tetrahydrobenzofuran
CID 17799099
6,7-Tetrahydroisobenzofuran
CID 21849955
Hexahydrodibenzofuran
CID 66608734
1-(3-Methylbut-2-enoxy)cyclohexene
CID 86158325
7-Fluoro-4-methyl-2,3,7,7a-tetrahydro-1-benzofuran
CID 134238646
5-Fluoro-2-methyl-2,3,5,6-tetrahydro-1-benzofuran
CID 137417397
(2R)-5-fluoro-2,6-dimethyl-2,3,5,6-tetrahydro-1-benzofuran
CID 137417414
2-Fluoro-2,3,4,5-tetrahydro-1-benzofuran
CID 140534070

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2,3,4,5-tetrahydro-1-benzofuran?
The IUPAC name of 7-ethyl-2,3,4,5-tetrahydro-1-benzofuran (CID 171630926) is 7-ethyl-2,3,4,5-tetrahydro-1-benzofuran.
What is the SMILES notation for 7-ethyl-2,3,4,5-tetrahydro-1-benzofuran?
The canonical SMILES for 7-ethyl-2,3,4,5-tetrahydro-1-benzofuran is CCC1=CCCC2=C1OCC2.
What is the InChIKey of 7-ethyl-2,3,4,5-tetrahydro-1-benzofuran?
The InChIKey is GKERGXRYWOONMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-8-4-3-5-9-6-7-11-10(8)9/h4H,2-3,5-7H2,1H3.
What are the key properties of 7-ethyl-2,3,4,5-tetrahydro-1-benzofuran?
7-ethyl-2,3,4,5-tetrahydro-1-benzofuran has a molecular weight of 150.22 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2,3,4,5-tetrahydro-1-benzofuran is sourced from PubChem (CID 171630926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).