6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one

C16H14ClNO3 — CID 121317057

IUPAC6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3ccc(OCCO)cc3)c(Cl)cc2N1
InChIInChI=1S/C16H14ClNO3/c17-14-9-15-11(8-16(20)18-15)7-13(14)10-1-3-12(4-2-10)21-6-5-19/h1-4,7,9,19H,5-6,8H2,(H,18,20)
InChIKeyICIBELFCBGUAFK-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.87
Rot. Bonds4

About 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one

6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one (PubChem CID 121317057) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one
PubChem CID121317057
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3ccc(OCCO)cc3)c(Cl)cc2N1
InChIInChI=1S/C16H14ClNO3/c17-14-9-15-11(8-16(20)18-15)7-13(14)10-1-3-12(4-2-10)21-6-5-19/h1-4,7,9,19H,5-6,8H2,(H,18,20)
InChIKeyICIBELFCBGUAFK-UHFFFAOYSA-N
XLogP2.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one (CID 121317057) is 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3ccc(OCCO)cc3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one?
The InChIKey is ICIBELFCBGUAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-14-9-15-11(8-16(20)18-15)7-13(14)10-1-3-12(4-2-10)21-6-5-19/h1-4,7,9,19H,5-6,8H2,(H,18,20).
What are the key properties of 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one?
6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one has a molecular weight of 303.75 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[4-(2-hydroxyethoxy)phenyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 121317057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).