methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate

C20H17NO4 — CID 13220390

IUPACmethyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate
SMILESCCOc1c(C(=O)OC)oc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C20H17NO4/c1-3-24-18-16-17(25-19(18)20(22)23-2)14-11-7-8-12-15(14)21(16)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3
InChIKeySQGMODLFBXUZFC-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.56
Rot. Bonds4

About methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate

methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate (PubChem CID 13220390) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate
PubChem CID13220390
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Namemethyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate
SMILESCCOc1c(C(=O)OC)oc2c3ccccc3n(-c3ccccc3)c12
InChIInChI=1S/C20H17NO4/c1-3-24-18-16-17(25-19(18)20(22)23-2)14-11-7-8-12-15(14)21(16)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3
InChIKeySQGMODLFBXUZFC-UHFFFAOYSA-N
XLogP4.56
TPSA53.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate?
The IUPAC name of methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate (CID 13220390) is methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate.
What is the SMILES notation for methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate?
The canonical SMILES for methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate is CCOc1c(C(=O)OC)oc2c3ccccc3n(-c3ccccc3)c12.
What is the InChIKey of methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate?
The InChIKey is SQGMODLFBXUZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-3-24-18-16-17(25-19(18)20(22)23-2)14-11-7-8-12-15(14)21(16)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3.
What are the key properties of methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate?
methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethoxy-4-phenylfuro[3,2-b]indole-2-carboxylate is sourced from PubChem (CID 13220390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).