1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one

C21H16ClNO2 — CID 12004278

IUPAC1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
SMILESO=C1N(Cc2ccc(Cl)cc2)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C21H16ClNO2/c22-17-12-10-15(11-13-17)14-23-19-9-5-4-8-18(19)21(25,20(23)24)16-6-2-1-3-7-16/h1-13,25H,14H2
InChIKeySIXPGAYGILPSJO-UHFFFAOYSA-N
MW349.82 g/mol
LogP4.12
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one

1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one (PubChem CID 12004278) has the molecular formula C21H16ClNO2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
PubChem CID12004278
Molecular FormulaC21H16ClNO2
Molecular Weight349.82 g/mol
Exact Mass349.09
IUPAC Name1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one
SMILESO=C1N(Cc2ccc(Cl)cc2)c2ccccc2C1(O)c1ccccc1
InChIInChI=1S/C21H16ClNO2/c22-17-12-10-15(11-13-17)14-23-19-9-5-4-8-18(19)21(25,20(23)24)16-6-2-1-3-7-16/h1-13,25H,14H2
InChIKeySIXPGAYGILPSJO-UHFFFAOYSA-N
XLogP4.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one (CID 12004278) is 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one is O=C1N(Cc2ccc(Cl)cc2)c2ccccc2C1(O)c1ccccc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one?
The InChIKey is SIXPGAYGILPSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO2/c22-17-12-10-15(11-13-17)14-23-19-9-5-4-8-18(19)21(25,20(23)24)16-6-2-1-3-7-16/h1-13,25H,14H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one?
1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one has a molecular weight of 349.82 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-phenylindol-2-one is sourced from PubChem (CID 12004278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).