1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one

C22H23NO2 — CID 67419599

IUPAC1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one
SMILESCCCCc1ccc(-n2ccc(=O)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C22H23NO2/c1-2-3-7-18-10-12-20(13-11-18)23-15-14-21(24)22(16-23)25-17-19-8-5-4-6-9-19/h4-6,8-16H,2-3,7,17H2,1H3
InChIKeyBTGKHAYMWCYXAR-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.76
Rot. Bonds7

About 1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one

1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one (PubChem CID 67419599) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one
PubChem CID67419599
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one
SMILESCCCCc1ccc(-n2ccc(=O)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C22H23NO2/c1-2-3-7-18-10-12-20(13-11-18)23-15-14-21(24)22(16-23)25-17-19-8-5-4-6-9-19/h4-6,8-16H,2-3,7,17H2,1H3
InChIKeyBTGKHAYMWCYXAR-UHFFFAOYSA-N
XLogP4.76
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-3-phenylmethoxypyridin-4-one
CID 178047506
N-(4-butylphenyl)-1-methyl-4-oxo-5-phenylmethoxypyridine-2-carboxamide
CID 42440870
3-pentyl-1-phenylpyrrole
CID 177458956
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
butylbenzene;carbonic acid
CID 158278492
butylbenzene;propylbenzene
CID 142022125
2-butyl-1,6-dimethyl-3-phenylmethoxypyridin-4-one
CID 10913107
1,2-bis(4-butylphenyl)-4-phenyl-1,2,4-triazolidine
CID 162352103
butylbenzene;hydroxylamine
CID 175142403
1-butyl-4-[(4-butylphenyl)methoxymethyl]benzene
CID 21471119
5-butyl-2-(4-phenylmethoxyphenyl)-4H-1,2,4-triazol-3-one
CID 135720083
(5Z)-3-(4-butylphenyl)-5-[[2-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6528156

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one?
The IUPAC name of 1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one (CID 67419599) is 1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one.
What is the SMILES notation for 1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one?
The canonical SMILES for 1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one is CCCCc1ccc(-n2ccc(=O)c(OCc3ccccc3)c2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one?
The InChIKey is BTGKHAYMWCYXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-2-3-7-18-10-12-20(13-11-18)23-15-14-21(24)22(16-23)25-17-19-8-5-4-6-9-19/h4-6,8-16H,2-3,7,17H2,1H3.
What are the key properties of 1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one?
1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one has a molecular weight of 333.43 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-phenylmethoxypyridin-4-one is sourced from PubChem (CID 67419599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).