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

C22H18ClNO3 — CID 54587491

IUPAC1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(3-methoxyphenyl)indol-2-one
SMILESCOc1cccc(C2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1
InChIInChI=1S/C22H18ClNO3/c1-27-18-6-4-5-16(13-18)22(26)19-7-2-3-8-20(19)24(21(22)25)14-15-9-11-17(23)12-10-15/h2-13,26H,14H2,1H3
InChIKeyNXXHCFNLTZYTBM-UHFFFAOYSA-N
MW379.84 g/mol
LogP4.13
Rot. Bonds4

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

1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(3-methoxyphenyl)indol-2-one (PubChem CID 54587491) has the molecular formula C22H18ClNO3 and a molecular weight of 379.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(3-methoxyphenyl)indol-2-one.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(3-methoxyphenyl)indol-2-one
PubChem CID54587491
Molecular FormulaC22H18ClNO3
Molecular Weight379.84 g/mol
Exact Mass379.10
IUPAC Name1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(3-methoxyphenyl)indol-2-one
SMILESCOc1cccc(C2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1
InChIInChI=1S/C22H18ClNO3/c1-27-18-6-4-5-16(13-18)22(26)19-7-2-3-8-20(19)24(21(22)25)14-15-9-11-17(23)12-10-15/h2-13,26H,14H2,1H3
InChIKeyNXXHCFNLTZYTBM-UHFFFAOYSA-N
XLogP4.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(3-methoxyphenyl)indol-2-one?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(3-methoxyphenyl)indol-2-one (CID 54587491) is 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(3-methoxyphenyl)indol-2-one.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(3-methoxyphenyl)indol-2-one?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(3-methoxyphenyl)indol-2-one is COc1cccc(C2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(3-methoxyphenyl)indol-2-one?
The InChIKey is NXXHCFNLTZYTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO3/c1-27-18-6-4-5-16(13-18)22(26)19-7-2-3-8-20(19)24(21(22)25)14-15-9-11-17(23)12-10-15/h2-13,26H,14H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(3-methoxyphenyl)indol-2-one?
1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(3-methoxyphenyl)indol-2-one has a molecular weight of 379.84 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-hydroxy-3-(3-methoxyphenyl)indol-2-one is sourced from PubChem (CID 54587491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).