(2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan]

C13H14O2 — CID 122361282

IUPAC(2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan]
SMILESCC[C@H]1C=C[C@@]2(COc3ccccc32)O1
InChIInChI=1S/C13H14O2/c1-2-10-7-8-13(15-10)9-14-12-6-4-3-5-11(12)13/h3-8,10H,2,9H2,1H3/t10-,13-/m0/s1
InChIKeyVPHXJEMZFAHYCY-GWCFXTLKSA-N
MW202.25 g/mol
LogP2.64
Rot. Bonds1

About (2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan]

(2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan] (PubChem CID 122361282) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan].

Molecular Properties

Compound Name(2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan]
PubChem CID122361282
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan]
SMILESCC[C@H]1C=C[C@@]2(COc3ccccc32)O1
InChIInChI=1S/C13H14O2/c1-2-10-7-8-13(15-10)9-14-12-6-4-3-5-11(12)13/h3-8,10H,2,9H2,1H3/t10-,13-/m0/s1
InChIKeyVPHXJEMZFAHYCY-GWCFXTLKSA-N
XLogP2.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2'R,3R)-2'-(4-fluorophenyl)spiro[2H-1-benzofuran-3,5'-2H-furan]
CID 122361270
3-ethyl-3-methyl-2H-1-benzofuran
CID 145054107
spiro[2H-1-benzofuran-3,4'-cyclohexa-2,5-diene]-1'-one
CID 10821793
2',3'-dimethylspiro[2H-1-benzofuran-3,1'-cyclopropane]
CID 20801257
3-methyl-3-[2-(3-methyl-2H-1-benzofuran-3-yl)ethyl]-2H-1-benzofuran
CID 132561835
CID 175667851
CID 175667851
2'-ethylspiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 62354992
3,3-dibromo-2H-1-benzofuran
CID 70451620
3-methyl-3-prop-2-enyl-2H-1-benzofuran
CID 101045859
3,3-dimethyl-2H-1-benzofuran;ethanesulfonic acid
CID 158235546
1',1',3',3'-tetramethylspiro[2H-1-benzofuran-3,2'-cyclobutane]
CID 58564359
(1aR,7bS)-1a-methyl-1,2-dihydrocyclopropa[c]chromen-7b-ol
CID 164684749

Frequently Asked Questions

What is the IUPAC name of (2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan]?
The IUPAC name of (2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan] (CID 122361282) is (2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan].
What is the SMILES notation for (2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan]?
The canonical SMILES for (2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan] is CC[C@H]1C=C[C@@]2(COc3ccccc32)O1.
What is the InChIKey of (2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan]?
The InChIKey is VPHXJEMZFAHYCY-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-10-7-8-13(15-10)9-14-12-6-4-3-5-11(12)13/h3-8,10H,2,9H2,1H3/t10-,13-/m0/s1.
What are the key properties of (2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan]?
(2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan] has a molecular weight of 202.25 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2'S,3R)-2'-ethylspiro[2H-1-benzofuran-3,5'-2H-furan] is sourced from PubChem (CID 122361282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).