3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid

C19H15NO4 — CID 13220395

IUPAC3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid
SMILESCCOc1c(C(=O)O)oc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C19H15NO4/c1-2-23-17-15-16(24-18(17)19(21)22)13-10-6-7-11-14(13)20(15)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,21,22)
InChIKeyYUEDRIPQRRVFJV-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.47
Rot. Bonds4

About 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid

3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid (PubChem CID 13220395) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid
PubChem CID13220395
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid
SMILESCCOc1c(C(=O)O)oc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C19H15NO4/c1-2-23-17-15-16(24-18(17)19(21)22)13-10-6-7-11-14(13)20(15)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,21,22)
InChIKeyYUEDRIPQRRVFJV-UHFFFAOYSA-N
XLogP4.47
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate
CID 13220390
ethyl 2-(2-methyl-1-phenylindol-3-yl)acetate
CID 10541758
12-methyl-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 147424004
11-phenylisochromeno[3,4-a]carbazol-13-one
CID 118248339
3-bromo-1-phenylindole-2-carboxylic acid
CID 102533933
10-phenyl-8-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[3,2-b]indole
CID 164828306
6-methyl-11-phenylisochromeno[3,4-a]carbazol-13-one
CID 118248474
9-dibenzofuran-1-yl-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164828494
10-phenyl-6-(9-phenylcarbazol-4-yl)-[1]benzofuro[3,2-b]indole
CID 164828310
ethyl 2-(methylaminomethyl)-1-phenylindole-3-carboxylate
CID 170071224
4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158182642
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-18-phenyl-15-oxa-12,18-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.019,24]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),19,21,23,26-dodecaene
CID 162701783

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid?
The IUPAC name of 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid (CID 13220395) is 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid.
What is the SMILES notation for 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid?
The canonical SMILES for 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid is CCOc1c(C(=O)O)oc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid?
The InChIKey is YUEDRIPQRRVFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-2-23-17-15-16(24-18(17)19(21)22)13-10-6-7-11-14(13)20(15)12-8-4-3-5-9-12/h3-11H,2H2,1H3,(H,21,22).
What are the key properties of 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid?
3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid has a molecular weight of 321.33 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid is sourced from PubChem (CID 13220395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).