6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one

C14H16ClNO3 — CID 63013855

IUPAC6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)C3CCCOC3)c(Cl)cc2N1
InChIInChI=1S/C14H16ClNO3/c15-11-6-12-9(5-13(17)16-12)4-10(11)14(18)8-2-1-3-19-7-8/h4,6,8,14,18H,1-3,5,7H2,(H,16,17)
InChIKeyCYEXISXJYLZMOR-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.29
Rot. Bonds2

About 6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one

6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 63013855) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID63013855
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)C3CCCOC3)c(Cl)cc2N1
InChIInChI=1S/C14H16ClNO3/c15-11-6-12-9(5-13(17)16-12)4-10(11)14(18)8-2-1-3-19-7-8/h4,6,8,14,18H,1-3,5,7H2,(H,16,17)
InChIKeyCYEXISXJYLZMOR-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-5-[cyclopentyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082264
5-[bromo(oxan-3-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 63015097
6-chloro-5-[cyclohexyl(hydroxy)methyl]-1,3-dihydroindol-2-one
CID 61082859
6-chloro-5-[ethylamino(oxan-3-yl)methyl]-1,3-dihydroindol-2-one
CID 63012879
6-chloro-5-[hydroxy(piperidin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43457516
6-chloro-5-[chloro(cyclohexyl)methyl]-1,3-dihydroindol-2-one
CID 61084046
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457574
5-[bromo(oxolan-2-yl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 61096789
(2,5-dichlorophenyl)-(oxan-3-yl)methanol
CID 63013314
6-chloro-5-(1-hydroxy-2-methylpropyl)-1,3-dihydroindol-2-one
CID 61081464
(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol
CID 107136089
6-chloro-5-[ethylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43493722

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one (CID 63013855) is 6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)C3CCCOC3)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is CYEXISXJYLZMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c15-11-6-12-9(5-13(17)16-12)4-10(11)14(18)8-2-1-3-19-7-8/h4,6,8,14,18H,1-3,5,7H2,(H,16,17).
What are the key properties of 6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one?
6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 281.74 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[hydroxy(oxan-3-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 63013855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).