4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid

C20H17NO4 — CID 13435432

IUPAC4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid
SMILESCC(C)Oc1c(C(=O)O)oc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C20H17NO4/c1-12(2)24-18-16-17(25-19(18)20(22)23)14-10-6-7-11-15(14)21(16)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,22,23)
InChIKeyWQENCYBKLZXZOG-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.86
Rot. Bonds4

About 4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid

4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid (PubChem CID 13435432) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid
PubChem CID13435432
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid
SMILESCC(C)Oc1c(C(=O)O)oc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C20H17NO4/c1-12(2)24-18-16-17(25-19(18)20(22)23)14-10-6-7-11-15(14)21(16)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,22,23)
InChIKeyWQENCYBKLZXZOG-UHFFFAOYSA-N
XLogP4.86
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid?
The IUPAC name of 4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid (CID 13435432) is 4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid.
What is the SMILES notation for 4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid?
The canonical SMILES for 4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid is CC(C)Oc1c(C(=O)O)oc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of 4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid?
The InChIKey is WQENCYBKLZXZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-12(2)24-18-16-17(25-19(18)20(22)23)14-10-6-7-11-15(14)21(16)13-8-4-3-5-9-13/h3-12H,1-2H3,(H,22,23).
What are the key properties of 4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid?
4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-propan-2-yloxyfuro[3,2-b]indole-2-carboxylic acid is sourced from PubChem (CID 13435432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).