ethane;2,3,4,5-tetrahydro-1-benzofuran

C10H16O — CID 142102486

IUPACethane;2,3,4,5-tetrahydro-1-benzofuran
SMILESC1=CC2=C(CC1)CCO2.CC
InChIInChI=1S/C8H10O.C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-2/h2,4H,1,3,5-6H2;1-2H3
InChIKeyPZDHDYQYGQFXFN-UHFFFAOYSA-N
MW152.24 g/mol
LogP3.04
Rot. Bonds

About ethane;2,3,4,5-tetrahydro-1-benzofuran

ethane;2,3,4,5-tetrahydro-1-benzofuran (PubChem CID 142102486) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is ethane;2,3,4,5-tetrahydro-1-benzofuran.

Molecular Properties

Compound Nameethane;2,3,4,5-tetrahydro-1-benzofuran
PubChem CID142102486
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Nameethane;2,3,4,5-tetrahydro-1-benzofuran
SMILESC1=CC2=C(CC1)CCO2.CC
InChIInChI=1S/C8H10O.C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-2/h2,4H,1,3,5-6H2;1-2H3
InChIKeyPZDHDYQYGQFXFN-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
1,2,3,4,4a,5a,6,7-Octahydrodibenzofuran
CID 57346130
Hexahydrodibenzofuran
CID 66608734
3-methyl-2-octyl-2H-pyran
CID 85787136
1-(3-Methylbut-2-enoxy)cyclohexene
CID 86158325
Tetrahydronaphthofuran
CID 88795225
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

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,4,5-tetrahydro-1-benzofuran?
The IUPAC name of ethane;2,3,4,5-tetrahydro-1-benzofuran (CID 142102486) is ethane;2,3,4,5-tetrahydro-1-benzofuran.
What is the SMILES notation for ethane;2,3,4,5-tetrahydro-1-benzofuran?
The canonical SMILES for ethane;2,3,4,5-tetrahydro-1-benzofuran is C1=CC2=C(CC1)CCO2.CC.
What is the InChIKey of ethane;2,3,4,5-tetrahydro-1-benzofuran?
The InChIKey is PZDHDYQYGQFXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C2H6/c1-2-4-8-7(3-1)5-6-9-8;1-2/h2,4H,1,3,5-6H2;1-2H3.
What are the key properties of ethane;2,3,4,5-tetrahydro-1-benzofuran?
ethane;2,3,4,5-tetrahydro-1-benzofuran has a molecular weight of 152.24 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,4,5-tetrahydro-1-benzofuran is sourced from PubChem (CID 142102486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).