[5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone

C32H26N2O5 — CID 101218684

IUPAC[5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(-c2n[nH]c(C(=O)c3c(O)cccc3OCc3ccccc3)c2C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H26N2O5/c1-20-11-13-23(14-12-20)31(36)28-29(22-15-17-24(38-2)18-16-22)33-34-30(28)32(37)27-25(35)9-6-10-26(27)39-19-21-7-4-3-5-8-21/h3-18,35H,19H2,1-2H3,(H,33,34)
InChIKeyMJXIFESKBHJXDN-UHFFFAOYSA-N
MW518.57 g/mol
LogP6.14
Rot. Bonds9

About [5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone

[5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone (PubChem CID 101218684) has the molecular formula C32H26N2O5 and a molecular weight of 518.57 g/mol. Its IUPAC name is [5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone
PubChem CID101218684
Molecular FormulaC32H26N2O5
Molecular Weight518.57 g/mol
Exact Mass518.18
IUPAC Name[5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone
SMILESCOc1ccc(-c2n[nH]c(C(=O)c3c(O)cccc3OCc3ccccc3)c2C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C32H26N2O5/c1-20-11-13-23(14-12-20)31(36)28-29(22-15-17-24(38-2)18-16-22)33-34-30(28)32(37)27-25(35)9-6-10-26(27)39-19-21-7-4-3-5-8-21/h3-18,35H,19H2,1-2H3,(H,33,34)
InChIKeyMJXIFESKBHJXDN-UHFFFAOYSA-N
XLogP6.14
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.57
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
[4-hydroxy-3-(4-methylbenzoyl)-1H-pyrazol-5-yl]-(4-methoxyphenyl)methanone
CID 135413871
2-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]-5-phenylmethoxyphenol
CID 2022938
(5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
CID 171985656
[4-(2-hydroxy-4-phenylmethoxyphenyl)-6-(4-methylbenzoyl)-1,3,5-triazin-2-yl]-(4-methylphenyl)methanone
CID 135673554
(4-methylphenyl)-[4-(4-phenylmethoxyphenoxy)phenyl]methanone
CID 58133171
2-methoxy-N-(4-methoxyphenyl)-6-phenylmethoxybenzamide
CID 44762771
(Z)-3-hydroxy-1-(2-hydroxy-6-phenylmethoxyphenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 142707866
1-[2-methoxy-6-[(4-methoxyphenyl)methoxy]phenyl]-3-methylsulfanylprop-2-en-1-one
CID 141265886
methyl 2-(2-benzoyl-3-hydroxyphenoxy)acetate
CID 10827050
[2-(4-methoxyphenyl)-2-oxoethyl] 2-phenylmethoxybenzoate
CID 2358793
ethyl 3-(4-methoxyphenyl)-4-oxo-5-phenyl-1H-pyridazine-6-carboxylate
CID 132961390

Frequently Asked Questions

What is the IUPAC name of [5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone (CID 101218684) is [5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone is COc1ccc(-c2n[nH]c(C(=O)c3c(O)cccc3OCc3ccccc3)c2C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of [5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone?
The InChIKey is MJXIFESKBHJXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O5/c1-20-11-13-23(14-12-20)31(36)28-29(22-15-17-24(38-2)18-16-22)33-34-30(28)32(37)27-25(35)9-6-10-26(27)39-19-21-7-4-3-5-8-21/h3-18,35H,19H2,1-2H3,(H,33,34).
What are the key properties of [5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone?
[5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone has a molecular weight of 518.57 g/mol, XLogP of 6.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-hydroxy-6-phenylmethoxybenzoyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 101218684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).