1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone

C17H16ClNO2 — CID 158369593

IUPAC1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc(CN2CCc3ccc(Cl)cc32)cc1
InChIInChI=1S/C17H16ClNO2/c18-15-6-5-13-7-8-19(16(13)9-15)10-12-1-3-14(4-2-12)17(21)11-20/h1-6,9,20H,7-8,10-11H2
InChIKeyHJNXIDXMEMNENJ-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.08
Rot. Bonds4

About 1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone

1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone (PubChem CID 158369593) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone
PubChem CID158369593
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone
SMILESO=C(CO)c1ccc(CN2CCc3ccc(Cl)cc32)cc1
InChIInChI=1S/C17H16ClNO2/c18-15-6-5-13-7-8-19(16(13)9-15)10-12-1-3-14(4-2-12)17(21)11-20/h1-6,9,20H,7-8,10-11H2
InChIKeyHJNXIDXMEMNENJ-UHFFFAOYSA-N
XLogP3.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone (CID 158369593) is 1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone is O=C(CO)c1ccc(CN2CCc3ccc(Cl)cc32)cc1.
What is the InChIKey of 1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone?
The InChIKey is HJNXIDXMEMNENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-15-6-5-13-7-8-19(16(13)9-15)10-12-1-3-14(4-2-12)17(21)11-20/h1-6,9,20H,7-8,10-11H2.
What are the key properties of 1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone?
1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone has a molecular weight of 301.77 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-chloro-2,3-dihydroindol-1-yl)methyl]phenyl]-2-hydroxyethanone is sourced from PubChem (CID 158369593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).