1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone

C19H21NO4 — CID 67362271

IUPAC1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2C(=O)CO)c(O)c1
InChIInChI=1S/C19H21NO4/c1-3-20(4-2)13-9-10-16(17(22)11-13)19(24)15-8-6-5-7-14(15)18(23)12-21/h5-11,21-22H,3-4,12H2,1-2H3
InChIKeyUCCUDGSGXNHASO-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.64
Rot. Bonds7

About 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone

1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone (PubChem CID 67362271) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone
PubChem CID67362271
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone
SMILESCCN(CC)c1ccc(C(=O)c2ccccc2C(=O)CO)c(O)c1
InChIInChI=1S/C19H21NO4/c1-3-20(4-2)13-9-10-16(17(22)11-13)19(24)15-8-6-5-7-14(15)18(23)12-21/h5-11,21-22H,3-4,12H2,1-2H3
InChIKeyUCCUDGSGXNHASO-UHFFFAOYSA-N
XLogP2.64
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one
CID 71476305
2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde
CID 163839608
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-phenylbenzamide
CID 10452870
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-(2-hydroxyethyl)-N-propylbenzamide
CID 59713083
4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]oxybut-2-enyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 90885318
2,5-bis[4-(diethylamino)-2-hydroxybenzoyl]terephthalic acid
CID 67893360
2-[2-[4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]piperazine-1-carbonyl]phenyl]-1-[4-(diethylamino)-2-hydroxyphenyl]ethanone
CID 123158886
2-(2-hydroxyethoxy)ethyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 153448457
2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid
CID 23390564
benzoic acid;methyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 175238314
[(E)-4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]oxybut-2-enyl] 2-[4-(diethylamino)-2-methylbenzoyl]benzoate
CID 142905842
(3-methoxy-2,2-dimethylpropyl) 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 142944915

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone?
The IUPAC name of 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone (CID 67362271) is 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone.
What is the SMILES notation for 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone?
The canonical SMILES for 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone is CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)CO)c(O)c1.
What is the InChIKey of 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone?
The InChIKey is UCCUDGSGXNHASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-3-20(4-2)13-9-10-16(17(22)11-13)19(24)15-8-6-5-7-14(15)18(23)12-21/h5-11,21-22H,3-4,12H2,1-2H3.
What are the key properties of 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone?
1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone has a molecular weight of 327.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone is sourced from PubChem (CID 67362271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).