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

C18H13NO4 — CID 13220394

IUPAC3-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid
SMILESCOc1c(C(=O)O)oc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C18H13NO4/c1-22-16-14-15(23-17(16)18(20)21)12-9-5-6-10-13(12)19(14)11-7-3-2-4-8-11/h2-10H,1H3,(H,20,21)
InChIKeyUIUZYXSRFZINPJ-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.08
Rot. Bonds3

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

3-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid (PubChem CID 13220394) has the molecular formula C18H13NO4 and a molecular weight of 307.31 g/mol. Its IUPAC name is 3-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name3-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid
PubChem CID13220394
Molecular FormulaC18H13NO4
Molecular Weight307.31 g/mol
Exact Mass307.08
IUPAC Name3-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid
SMILESCOc1c(C(=O)O)oc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C18H13NO4/c1-22-16-14-15(23-17(16)18(20)21)12-9-5-6-10-13(12)19(14)11-7-3-2-4-8-11/h2-10H,1H3,(H,20,21)
InChIKeyUIUZYXSRFZINPJ-UHFFFAOYSA-N
XLogP4.08
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Benzylfuro[3,2-b]indol-2-yl)methanol
CID 72206023
[4-[(2-Fluorophenyl)methyl]furo[3,2-b]indol-2-yl]methanol
CID 72206024
[4-[(3-Fluorophenyl)methyl]furo[3,2-b]indol-2-yl]methanol
CID 72206025
[4-[(4-Fluorophenyl)methyl]furo[3,2-b]indol-2-yl]methanol
CID 72206026
[4-[(3-Methoxyphenyl)methyl]furo[3,2-b]indol-2-yl]methanol
CID 72206204
[4-[(4-Methoxyphenyl)methyl]furo[3,2-b]indol-2-yl]methanol
CID 72206205
[4-(1,3-Benzodioxol-5-ylmethyl)furo[3,2-b]indol-2-yl]methanol
CID 72206206
[3-[[2-(Hydroxymethyl)furo[3,2-b]indol-4-yl]methyl]phenyl]methanol
CID 72206207
[4-[[2-(Hydroxymethyl)furo[3,2-b]indol-4-yl]methyl]phenyl]methanol
CID 72206208
(5-((2-(Hydroxymethyl)-4h-furo[3,2-b]indol-4-yl)methyl)furan-2-yl)methanol
CID 72206387
[5-[[2-(Hydroxymethyl)furo[3,2-b]indol-4-yl]methyl]selenophen-2-yl]methanol
CID 72206389
3,7-Dimethoxy-4-phenyl-4H-furo[3,2-b]indole-2-carboxylic acid
CID 13220391

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid?
The IUPAC name of 3-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid (CID 13220394) is 3-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid.
What is the SMILES notation for 3-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid?
The canonical SMILES for 3-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid is COc1c(C(=O)O)oc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 3-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid?
The InChIKey is UIUZYXSRFZINPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c1-22-16-14-15(23-17(16)18(20)21)12-9-5-6-10-13(12)19(14)11-7-3-2-4-8-11/h2-10H,1H3,(H,20,21).
What are the key properties of 3-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid?
3-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenylfuro[3,2-b]indole-2-carboxylic acid is sourced from PubChem (CID 13220394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).