4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one

C17H14ClNO3 — CID 2924608

IUPAC4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccccc1
InChIInChI=1S/C17H14ClNO3/c1-10-7-8-12(18)14-15(10)19-16(21)17(14,22)9-13(20)11-5-3-2-4-6-11/h2-8,22H,9H2,1H3,(H,19,21)
InChIKeyHIIBYJHILNZMFO-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.06
Rot. Bonds3

About 4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one

4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one (PubChem CID 2924608) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one.

Molecular Properties

Compound Name4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one
PubChem CID2924608
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one
SMILESCc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccccc1
InChIInChI=1S/C17H14ClNO3/c1-10-7-8-12(18)14-15(10)19-16(21)17(14,22)9-13(20)11-5-3-2-4-6-11/h2-8,22H,9H2,1H3,(H,19,21)
InChIKeyHIIBYJHILNZMFO-UHFFFAOYSA-N
XLogP3.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-Dichloro-3-(2-(4-cyclopropylphenyl)-2-oxoethyl)-3-hydroxyindolin-2-one
CID 121268274
3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1,3-dihydro-2H-indol-2-one
CID 3242879
3-hydroxy-5-methyl-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one
CID 5734070
4,7-dichloro-3-hydroxy-3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 71811890
4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 71811891
4,7-dichloro-3-hydroxy-3-[2-[4-(methylamino)phenyl]-2-oxoethyl]-1H-indol-2-one
CID 71811893
3-Hydroxy-3-phenacyloxindole
CID 99051
5,7-Dichloro-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one
CID 366637
1-allyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2925037
methyl {3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
CID 2939448
1-(4-chlorobenzyl)-3-(3,3-dimethyl-2-oxobutyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2949587
5-Chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one
CID 46360604

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one?
The IUPAC name of 4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one (CID 2924608) is 4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one.
What is the SMILES notation for 4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one?
The canonical SMILES for 4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one is Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccccc1.
What is the InChIKey of 4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one?
The InChIKey is HIIBYJHILNZMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-10-7-8-12(18)14-15(10)19-16(21)17(14,22)9-13(20)11-5-3-2-4-6-11/h2-8,22H,9H2,1H3,(H,19,21).
What are the key properties of 4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one?
4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one has a molecular weight of 315.76 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-hydroxy-7-methyl-3-phenacyl-1H-indol-2-one is sourced from PubChem (CID 2924608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).