2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid

C19H14ClNO5 — CID 59263434

IUPAC2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
SMILESO=C(O)CN1C(=O)C2(COc3cc4c(cc32)CCO4)c2c(Cl)cccc21
InChIInChI=1S/C19H14ClNO5/c20-12-2-1-3-13-17(12)19(18(24)21(13)8-16(22)23)9-26-15-7-14-10(4-5-25-14)6-11(15)19/h1-3,6-7H,4-5,8-9H2,(H,22,23)
InChIKeyBBYCCXFKBAKSLA-UHFFFAOYSA-N
MW371.78 g/mol
LogP2.38
Rot. Bonds2

About 2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid

2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid (PubChem CID 59263434) has the molecular formula C19H14ClNO5 and a molecular weight of 371.78 g/mol. Its IUPAC name is 2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid.

Molecular Properties

Compound Name2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
PubChem CID59263434
Molecular FormulaC19H14ClNO5
Molecular Weight371.78 g/mol
Exact Mass371.06
IUPAC Name2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid
SMILESO=C(O)CN1C(=O)C2(COc3cc4c(cc32)CCO4)c2c(Cl)cccc21
InChIInChI=1S/C19H14ClNO5/c20-12-2-1-3-13-17(12)19(18(24)21(13)8-16(22)23)9-26-15-7-14-10(4-5-25-14)6-11(15)19/h1-3,6-7H,4-5,8-9H2,(H,22,23)
InChIKeyBBYCCXFKBAKSLA-UHFFFAOYSA-N
XLogP2.38
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid?
The IUPAC name of 2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid (CID 59263434) is 2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid.
What is the SMILES notation for 2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid?
The canonical SMILES for 2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid is O=C(O)CN1C(=O)C2(COc3cc4c(cc32)CCO4)c2c(Cl)cccc21.
What is the InChIKey of 2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid?
The InChIKey is BBYCCXFKBAKSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO5/c20-12-2-1-3-13-17(12)19(18(24)21(13)8-16(22)23)9-26-15-7-14-10(4-5-25-14)6-11(15)19/h1-3,6-7H,4-5,8-9H2,(H,22,23).
What are the key properties of 2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid?
2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid has a molecular weight of 371.78 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4'-chloro-2'-oxospiro[5,6-dihydro-2H-furo[3,2-f][1]benzofuran-3,3'-indole]-1'-yl)acetic acid is sourced from PubChem (CID 59263434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).