[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone

C21H17NO4 — CID 102584961

IUPAC[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cncc(C(=O)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C21H17NO4/c1-25-18-7-3-14(4-8-18)20(23)16-11-17(13-22-12-16)21(24)15-5-9-19(26-2)10-6-15/h3-13H,1-2H3
InChIKeyQKOSYJHDINHGFF-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.56
Rot. Bonds6

About [5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone

[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone (PubChem CID 102584961) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is [5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
PubChem CID102584961
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Name[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2cncc(C(=O)c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C21H17NO4/c1-25-18-7-3-14(4-8-18)20(23)16-11-17(13-22-12-16)21(24)15-5-9-19(26-2)10-6-15/h3-13H,1-2H3
InChIKeyQKOSYJHDINHGFF-UHFFFAOYSA-N
XLogP3.56
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
(E)-3-(4-methoxyphenyl)-1-[5-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-pyridinyl]prop-2-en-1-one
CID 10453539
(4-amino-3-chlorophenyl)-(5-methoxy-3-pyridinyl)methanone
CID 116581855
(4-methoxyphenyl)-(5-methylfuran-3-yl)methanone
CID 114819430
(2,6-dimethoxyphenyl)-(5-methoxy-3-pyridinyl)methanone
CID 115793508
2,3-dihydro-1,4-benzodioxin-6-yl-(5-methoxy-3-pyridinyl)methanone
CID 115793344
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone?
The IUPAC name of [5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone (CID 102584961) is [5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2cncc(C(=O)c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of [5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone?
The InChIKey is QKOSYJHDINHGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c1-25-18-7-3-14(4-8-18)20(23)16-11-17(13-22-12-16)21(24)15-5-9-19(26-2)10-6-15/h3-13H,1-2H3.
What are the key properties of [5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone?
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone has a molecular weight of 347.37 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 102584961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).