(5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone

C15H14ClNO3S — CID 10734728

IUPAC(5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone
SMILESCCOC1(O)Cc2cc(Cl)ccc2N1C(=O)c1cccs1
InChIInChI=1S/C15H14ClNO3S/c1-2-20-15(19)9-10-8-11(16)5-6-12(10)17(15)14(18)13-4-3-7-21-13/h3-8,19H,2,9H2,1H3
InChIKeyAJEIHEYZNQYLIL-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.29
Rot. Bonds3

About (5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone

(5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone (PubChem CID 10734728) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is (5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone
PubChem CID10734728
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name(5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone
SMILESCCOC1(O)Cc2cc(Cl)ccc2N1C(=O)c1cccs1
InChIInChI=1S/C15H14ClNO3S/c1-2-20-15(19)9-10-8-11(16)5-6-12(10)17(15)14(18)13-4-3-7-21-13/h3-8,19H,2,9H2,1H3
InChIKeyAJEIHEYZNQYLIL-UHFFFAOYSA-N
XLogP3.29
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[5-Chloro-2-(thiophene-2-carbonylamino)phenyl]acetic acid
CID 10517994
5-chloro-2-ethoxy-2-hydroxy-1-(thiophene-2-carbonyl)-3H-indole-3-carboxamide
CID 11793306
(5-Chloro-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
CID 110714163

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone?
The IUPAC name of (5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone (CID 10734728) is (5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone is CCOC1(O)Cc2cc(Cl)ccc2N1C(=O)c1cccs1.
What is the InChIKey of (5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone?
The InChIKey is AJEIHEYZNQYLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-2-20-15(19)9-10-8-11(16)5-6-12(10)17(15)14(18)13-4-3-7-21-13/h3-8,19H,2,9H2,1H3.
What are the key properties of (5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone?
(5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone has a molecular weight of 323.80 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-ethoxy-2-hydroxy-3H-indol-1-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 10734728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).