(3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone

C26H19NO3 — CID 132610001

IUPAC(3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)c(Oc2ccccn2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C26H19NO3/c1-18-16-21(24(28)19-10-4-2-5-11-19)26(30-23-14-8-9-15-27-23)22(17-18)25(29)20-12-6-3-7-13-20/h2-17H,1H3
InChIKeyYJFJARCMHDETIB-UHFFFAOYSA-N
MW393.44 g/mol
LogP5.64
Rot. Bonds6

About (3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone

(3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone (PubChem CID 132610001) has the molecular formula C26H19NO3 and a molecular weight of 393.44 g/mol. Its IUPAC name is (3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone
PubChem CID132610001
Molecular FormulaC26H19NO3
Molecular Weight393.44 g/mol
Exact Mass393.14
IUPAC Name(3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)c(Oc2ccccn2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C26H19NO3/c1-18-16-21(24(28)19-10-4-2-5-11-19)26(30-23-14-8-9-15-27-23)22(17-18)25(29)20-12-6-3-7-13-20/h2-17H,1H3
InChIKeyYJFJARCMHDETIB-UHFFFAOYSA-N
XLogP5.64
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-2-pyridin-2-yloxyphenyl)-phenylmethanone
CID 154487334
(2-benzoyl-4,6-dimethylphenyl) benzoate
CID 141250028
4-methyl-3-pyridin-2-yloxybenzoic acid
CID 55031137
(4-chlorophenyl)-(2-pyridin-2-yloxyphenyl)methanone
CID 132518040
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
1-[3-benzoyl-5-methyl-2-(pyridine-4-carbonyl)phenyl]ethanone
CID 14765290
1-pyridin-2-yloxynaphthalene-2-carboxylic acid
CID 61396185
(3-methyl-2-pyridin-2-yloxyphenyl) 4-methylbenzoate
CID 122204207
(2,5-dimethyl-4-pyridinyl)-phenylmethanone
CID 12954070
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
3,5-dimethyl-4-pyridin-2-yloxyaniline
CID 129016357
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697

Frequently Asked Questions

What is the IUPAC name of (3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone?
The IUPAC name of (3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone (CID 132610001) is (3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone.
What is the SMILES notation for (3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone?
The canonical SMILES for (3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone is Cc1cc(C(=O)c2ccccc2)c(Oc2ccccn2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of (3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone?
The InChIKey is YJFJARCMHDETIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19NO3/c1-18-16-21(24(28)19-10-4-2-5-11-19)26(30-23-14-8-9-15-27-23)22(17-18)25(29)20-12-6-3-7-13-20/h2-17H,1H3.
What are the key properties of (3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone?
(3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone has a molecular weight of 393.44 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzoyl-5-methyl-2-pyridin-2-yloxyphenyl)-phenylmethanone is sourced from PubChem (CID 132610001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).