1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone

C29H25NO3 — CID 147688075

IUPAC1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(-c3ccccc3)cc2)cc1C(=O)Cc1ccncc1C
InChIInChI=1S/C29H25NO3/c1-20-19-30-15-14-24(20)18-28(32)26-17-25(12-13-29(26)33-2)27(31)16-21-8-10-23(11-9-21)22-6-4-3-5-7-22/h3-15,17,19H,16,18H2,1-2H3
InChIKeyGQKRXFLVCYFDIC-UHFFFAOYSA-N
MW435.52 g/mol
LogP5.92
Rot. Bonds8

About 1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone

1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone (PubChem CID 147688075) has the molecular formula C29H25NO3 and a molecular weight of 435.52 g/mol. Its IUPAC name is 1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone
PubChem CID147688075
Molecular FormulaC29H25NO3
Molecular Weight435.52 g/mol
Exact Mass435.18
IUPAC Name1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone
SMILESCOc1ccc(C(=O)Cc2ccc(-c3ccccc3)cc2)cc1C(=O)Cc1ccncc1C
InChIInChI=1S/C29H25NO3/c1-20-19-30-15-14-24(20)18-28(32)26-17-25(12-13-29(26)33-2)27(31)16-21-8-10-23(11-9-21)22-6-4-3-5-7-22/h3-15,17,19H,16,18H2,1-2H3
InChIKeyGQKRXFLVCYFDIC-UHFFFAOYSA-N
XLogP5.92
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.52
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(2-ethyl-4-pyridinyl)acetyl]-4-methoxyphenyl]-4-phenylbenzamide
CID 158094058
3-methyl-4-[2-(4-phenylphenyl)ethyl]pyridine
CID 175565400
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868
2-phenyl-1-(2,4,5-trimethoxyphenyl)ethanone
CID 15228893
2-(4-bromophenyl)-1-(3-methoxy-4-methylphenyl)ethanone
CID 61055896
N-[2-methoxy-5-[2-(4-phenylphenyl)acetyl]phenyl]-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 161110649
2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)ethanone
CID 43339993
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 7627706
4-methoxy-1-N-(4-phenylphenyl)-3-N-pyridin-3-ylbenzene-1,3-dicarboxamide
CID 122500865
2-[4-[2-(2-methoxyphenyl)-2-oxoethyl]phenyl]acetic acid
CID 158147821
3-[2-(4-tert-butylphenyl)acetyl]-4-methoxybenzamide
CID 158812544

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone?
The IUPAC name of 1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone (CID 147688075) is 1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone is COc1ccc(C(=O)Cc2ccc(-c3ccccc3)cc2)cc1C(=O)Cc1ccncc1C.
What is the InChIKey of 1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone?
The InChIKey is GQKRXFLVCYFDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO3/c1-20-19-30-15-14-24(20)18-28(32)26-17-25(12-13-29(26)33-2)27(31)16-21-8-10-23(11-9-21)22-6-4-3-5-7-22/h3-15,17,19H,16,18H2,1-2H3.
What are the key properties of 1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone?
1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone has a molecular weight of 435.52 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-[2-(3-methyl-4-pyridinyl)acetyl]phenyl]-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 147688075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).