(1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone

C22H15NO3 — CID 22569367

IUPAC(1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(O)n(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H15NO3/c24-20(15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)23(22(19)26)21(25)16-11-5-2-6-12-16/h1-14,26H
InChIKeyKDAPJBPKSVDNFB-UHFFFAOYSA-N
MW341.37 g/mol
LogP4.27
Rot. Bonds3

About (1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone

(1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone (PubChem CID 22569367) has the molecular formula C22H15NO3 and a molecular weight of 341.37 g/mol. Its IUPAC name is (1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone
PubChem CID22569367
Molecular FormulaC22H15NO3
Molecular Weight341.37 g/mol
Exact Mass341.11
IUPAC Name(1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(O)n(C(=O)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H15NO3/c24-20(15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)23(22(19)26)21(25)16-11-5-2-6-12-16/h1-14,26H
InChIKeyKDAPJBPKSVDNFB-UHFFFAOYSA-N
XLogP4.27
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone?
The IUPAC name of (1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone (CID 22569367) is (1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone.
What is the SMILES notation for (1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone?
The canonical SMILES for (1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone is O=C(c1ccccc1)c1c(O)n(C(=O)c2ccccc2)c2ccccc12.
What is the InChIKey of (1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone?
The InChIKey is KDAPJBPKSVDNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO3/c24-20(15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)23(22(19)26)21(25)16-11-5-2-6-12-16/h1-14,26H.
What are the key properties of (1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone?
(1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone has a molecular weight of 341.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoyl-2-hydroxyindol-3-yl)-phenylmethanone is sourced from PubChem (CID 22569367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).