1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one

C23H29NO3 — CID 71476305

IUPAC1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one
SMILESCCCCCC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O
InChIInChI=1S/C23H29NO3/c1-4-7-8-13-21(25)18-11-9-10-12-19(18)23(27)20-15-14-17(16-22(20)26)24(5-2)6-3/h9-12,14-16,26H,4-8,13H2,1-3H3
InChIKeyWALJXPBZLHSIOS-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.23
Rot. Bonds10

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

1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one (PubChem CID 71476305) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one.

Molecular Properties

Compound Name1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one
PubChem CID71476305
Molecular FormulaC23H29NO3
Molecular Weight367.49 g/mol
Exact Mass367.21
IUPAC Name1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one
SMILESCCCCCC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O
InChIInChI=1S/C23H29NO3/c1-4-7-8-13-21(25)18-11-9-10-12-19(18)23(27)20-15-14-17(16-22(20)26)24(5-2)6-3/h9-12,14-16,26H,4-8,13H2,1-3H3
InChIKeyWALJXPBZLHSIOS-UHFFFAOYSA-N
XLogP5.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-hydroxyethanone
CID 67362271
2-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]-2-oxoacetaldehyde
CID 163839608
2-[4-(diethylamino)-2-hydroxybenzoyl]-N-phenylbenzamide
CID 10452870
2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid
CID 23390564
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
benzoic acid;methyl 2-[4-(diethylamino)-2-hydroxybenzoyl]benzoate
CID 175238314
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
1-(2-benzoylphenyl)hexan-1-one
CID 158745155
[(E)-4-[2-[4-(diethylamino)-2-hydroxybenzoyl]benzoyl]oxybut-2-enyl] 2-[4-(diethylamino)-2-methylbenzoyl]benzoate
CID 142905842

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one?
The IUPAC name of 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one (CID 71476305) is 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one.
What is the SMILES notation for 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one?
The canonical SMILES for 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one is CCCCCC(=O)c1ccccc1C(=O)c1ccc(N(CC)CC)cc1O.
What is the InChIKey of 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one?
The InChIKey is WALJXPBZLHSIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-4-7-8-13-21(25)18-11-9-10-12-19(18)23(27)20-15-14-17(16-22(20)26)24(5-2)6-3/h9-12,14-16,26H,4-8,13H2,1-3H3.
What are the key properties of 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one?
1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one has a molecular weight of 367.49 g/mol, XLogP of 5.23, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(diethylamino)-2-hydroxybenzoyl]phenyl]hexan-1-one is sourced from PubChem (CID 71476305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).