[5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone

C22H21NO5 — CID 155560958

IUPAC[5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cncc(-c3ccc(C)c(O)c3)c2)cc(OC)c1OC
InChIInChI=1S/C22H21NO5/c1-13-5-6-14(8-18(13)24)16-7-17(12-23-11-16)21(25)15-9-19(26-2)22(28-4)20(10-15)27-3/h5-12,24H,1-4H3
InChIKeyQIIFEOYSKKDKKZ-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.02
Rot. Bonds6

About [5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone

[5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 155560958) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is [5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID155560958
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name[5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cncc(-c3ccc(C)c(O)c3)c2)cc(OC)c1OC
InChIInChI=1S/C22H21NO5/c1-13-5-6-14(8-18(13)24)16-7-17(12-23-11-16)21(25)15-9-19(26-2)22(28-4)20(10-15)27-3/h5-12,24H,1-4H3
InChIKeyQIIFEOYSKKDKKZ-UHFFFAOYSA-N
XLogP4.02
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone (CID 155560958) is [5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cncc(-c3ccc(C)c(O)c3)c2)cc(OC)c1OC.
What is the InChIKey of [5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is QIIFEOYSKKDKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-13-5-6-14(8-18(13)24)16-7-17(12-23-11-16)21(25)15-9-19(26-2)22(28-4)20(10-15)27-3/h5-12,24H,1-4H3.
What are the key properties of [5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone?
[5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 379.41 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-hydroxy-4-methylphenyl)-3-pyridinyl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 155560958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).