(5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone

C19H17NO4 — CID 44815286

IUPAC(5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone
SMILESO=C(c1ccc(OC2CCOC2)cc1)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C19H17NO4/c21-14-3-6-17-13(9-14)10-18(20-17)19(22)12-1-4-15(5-2-12)24-16-7-8-23-11-16/h1-6,9-10,16,20-21H,7-8,11H2
InChIKeyQMMZEZYXPWFXML-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.27
Rot. Bonds4

About (5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone

(5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone (PubChem CID 44815286) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone.

Molecular Properties

Compound Name(5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone
PubChem CID44815286
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone
SMILESO=C(c1ccc(OC2CCOC2)cc1)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C19H17NO4/c21-14-3-6-17-13(9-14)10-18(20-17)19(22)12-1-4-15(5-2-12)24-16-7-8-23-11-16/h1-6,9-10,16,20-21H,7-8,11H2
InChIKeyQMMZEZYXPWFXML-UHFFFAOYSA-N
XLogP3.27
TPSA71.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone?
The IUPAC name of (5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone (CID 44815286) is (5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone.
What is the SMILES notation for (5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone?
The canonical SMILES for (5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone is O=C(c1ccc(OC2CCOC2)cc1)c1cc2cc(O)ccc2[nH]1.
What is the InChIKey of (5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone?
The InChIKey is QMMZEZYXPWFXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c21-14-3-6-17-13(9-14)10-18(20-17)19(22)12-1-4-15(5-2-12)24-16-7-8-23-11-16/h1-6,9-10,16,20-21H,7-8,11H2.
What are the key properties of (5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone?
(5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone has a molecular weight of 323.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-hydroxy-1H-indol-2-yl)-[4-(oxolan-3-yloxy)phenyl]methanone is sourced from PubChem (CID 44815286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).