1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone

C22H19NO4 — CID 53440375

IUPAC1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone
SMILESO=C(CN(CC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C22H19NO4/c24-19-10-6-16(7-11-19)21(26)14-23(18-4-2-1-3-5-18)15-22(27)17-8-12-20(25)13-9-17/h1-13,24-25H,14-15H2
InChIKeySLTQKRDOFVBGOK-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.67
Rot. Bonds7

About 1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone

1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone (PubChem CID 53440375) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone
PubChem CID53440375
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone
SMILESO=C(CN(CC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C22H19NO4/c24-19-10-6-16(7-11-19)21(26)14-23(18-4-2-1-3-5-18)15-22(27)17-8-12-20(25)13-9-17/h1-13,24-25H,14-15H2
InChIKeySLTQKRDOFVBGOK-UHFFFAOYSA-N
XLogP3.67
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone?
The IUPAC name of 1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone (CID 53440375) is 1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone.
What is the SMILES notation for 1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone?
The canonical SMILES for 1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone is O=C(CN(CC(=O)c1ccc(O)cc1)c1ccccc1)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone?
The InChIKey is SLTQKRDOFVBGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-19-10-6-16(7-11-19)21(26)14-23(18-4-2-1-3-5-18)15-22(27)17-8-12-20(25)13-9-17/h1-13,24-25H,14-15H2.
What are the key properties of 1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone?
1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone has a molecular weight of 361.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-2-(N-[2-(4-hydroxyphenyl)-2-oxoethyl]anilino)ethanone is sourced from PubChem (CID 53440375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).