[4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate

C17H15NO3 — CID 129175808

IUPAC[4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate
SMILESCc1[nH]c2ccc(Oc3ccc(OC=O)cc3)cc2c1C
InChIInChI=1S/C17H15NO3/c1-11-12(2)18-17-8-7-15(9-16(11)17)21-14-5-3-13(4-6-14)20-10-19/h3-10,18H,1-2H3
InChIKeyYQXCWDGDODUTRW-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.11
Rot. Bonds4

About [4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate

[4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate (PubChem CID 129175808) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is [4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate.

Molecular Properties

Compound Name[4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate
PubChem CID129175808
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name[4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate
SMILESCc1[nH]c2ccc(Oc3ccc(OC=O)cc3)cc2c1C
InChIInChI=1S/C17H15NO3/c1-11-12(2)18-17-8-7-15(9-16(11)17)21-14-5-3-13(4-6-14)20-10-19/h3-10,18H,1-2H3
InChIKeyYQXCWDGDODUTRW-UHFFFAOYSA-N
XLogP4.11
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate?
The IUPAC name of [4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate (CID 129175808) is [4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate.
What is the SMILES notation for [4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate?
The canonical SMILES for [4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate is Cc1[nH]c2ccc(Oc3ccc(OC=O)cc3)cc2c1C.
What is the InChIKey of [4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate?
The InChIKey is YQXCWDGDODUTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-12(2)18-17-8-7-15(9-16(11)17)21-14-5-3-13(4-6-14)20-10-19/h3-10,18H,1-2H3.
What are the key properties of [4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate?
[4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate has a molecular weight of 281.31 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,3-dimethyl-1H-indol-5-yl)oxy]phenyl] formate is sourced from PubChem (CID 129175808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).