(2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone

C15H15NO3 — CID 825840

IUPAC(2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C15H15NO3/c1-16(2)11-5-3-10(4-6-11)15(19)13-8-7-12(17)9-14(13)18/h3-9,17-18H,1-2H3
InChIKeyMFVGRLIGGZNHRJ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.39
Rot. Bonds3

About (2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone

(2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone (PubChem CID 825840) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone
PubChem CID825840
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name(2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone
SMILESCN(C)c1ccc(C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C15H15NO3/c1-16(2)11-5-3-10(4-6-11)15(19)13-8-7-12(17)9-14(13)18/h3-9,17-18H,1-2H3
InChIKeyMFVGRLIGGZNHRJ-UHFFFAOYSA-N
XLogP2.39
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone (CID 825840) is (2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone is CN(C)c1ccc(C(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of (2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone?
The InChIKey is MFVGRLIGGZNHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-16(2)11-5-3-10(4-6-11)15(19)13-8-7-12(17)9-14(13)18/h3-9,17-18H,1-2H3.
What are the key properties of (2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone?
(2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone has a molecular weight of 257.29 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[4-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 825840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).