1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one

C29H22ClNO3 — CID 66523103

IUPAC1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H22ClNO3/c30-24-10-6-7-20(17-24)19-31-26-12-5-4-11-25(26)29(34,28(31)33)18-27(32)23-15-13-22(14-16-23)21-8-2-1-3-9-21/h1-17,34H,18-19H2
InChIKeyZCAPWBQORORWHH-UHFFFAOYSA-N
MW467.95 g/mol
LogP6.01
Rot. Bonds6

About 1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one

1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one (PubChem CID 66523103) has the molecular formula C29H22ClNO3 and a molecular weight of 467.95 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
PubChem CID66523103
Molecular FormulaC29H22ClNO3
Molecular Weight467.95 g/mol
Exact Mass467.13
IUPAC Name1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H22ClNO3/c30-24-10-6-7-20(17-24)19-31-26-12-5-4-11-25(26)29(34,28(31)33)18-27(32)23-15-13-22(14-16-23)21-8-2-1-3-9-21/h1-17,34H,18-19H2
InChIKeyZCAPWBQORORWHH-UHFFFAOYSA-N
XLogP6.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.95
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 45259055
(3R)-1-[(3-chlorophenyl)methyl]-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 95244675
(3S)-1-[(3-chlorophenyl)methyl]-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 95244688
(3R)-1-benzyl-3-hydroxy-3-phenacylindol-2-one
CID 7014468
(3R)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357344
(3S)-1-benzyl-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 7357342
1-[(3-chlorophenyl)methyl]-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 45259060
(3S)-1-[(3-chlorophenyl)methyl]-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 95244691
1-[(3-fluorophenyl)methyl]-3-hydroxy-3-phenacylindol-2-one
CID 3708418
3-hydroxy-1-[(3-methylphenyl)methyl]-3-phenacylindol-2-one
CID 3598775
3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1-(2-phenylethyl)indol-2-one
CID 2908541
1-[(3-fluorophenyl)methyl]-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxyindol-2-one
CID 3442140

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one (CID 66523103) is 1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one is O=C(CC1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one?
The InChIKey is ZCAPWBQORORWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22ClNO3/c30-24-10-6-7-20(17-24)19-31-26-12-5-4-11-25(26)29(34,28(31)33)18-27(32)23-15-13-22(14-16-23)21-8-2-1-3-9-21/h1-17,34H,18-19H2.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one?
1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one has a molecular weight of 467.95 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]indol-2-one is sourced from PubChem (CID 66523103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).