2-(4-morpholin-4-ylbenzoyl)benzoic acid

C18H17NO4 — CID 20536938

IUPAC2-(4-morpholin-4-ylbenzoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H17NO4/c20-17(15-3-1-2-4-16(15)18(21)22)13-5-7-14(8-6-13)19-9-11-23-12-10-19/h1-8H,9-12H2,(H,21,22)
InChIKeyHKYNHWGOUXVCKC-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.45
Rot. Bonds4

About 2-(4-morpholin-4-ylbenzoyl)benzoic acid

2-(4-morpholin-4-ylbenzoyl)benzoic acid (PubChem CID 20536938) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylbenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(4-morpholin-4-ylbenzoyl)benzoic acid
PubChem CID20536938
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name2-(4-morpholin-4-ylbenzoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H17NO4/c20-17(15-3-1-2-4-16(15)18(21)22)13-5-7-14(8-6-13)19-9-11-23-12-10-19/h1-8H,9-12H2,(H,21,22)
InChIKeyHKYNHWGOUXVCKC-UHFFFAOYSA-N
XLogP2.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzoylbenzoic acid;hydrofluoride
CID 70485904
[4-(aziridin-1-yl)phenyl]-phenylmethanone
CID 102156745
2-[2-[[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]carbamoyl]phenyl]benzoic acid
CID 24984100
N-(2-benzoyl-4-chlorophenyl)-4-morpholin-4-ylbenzamide
CID 21367719
4-morpholin-4-ylbenzenecarbothioic S-acid
CID 20689810
[4-(dimethylamino)phenyl]-(4-morpholin-4-ylphenyl)methanone
CID 101130657
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
CID 117341791
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
2-(4-trimethylsilylbenzoyl)benzoic acid
CID 59081715
potassium;2-benzoylbenzoic acid;carbonic acid;hydride
CID 174538338

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylbenzoyl)benzoic acid?
The IUPAC name of 2-(4-morpholin-4-ylbenzoyl)benzoic acid (CID 20536938) is 2-(4-morpholin-4-ylbenzoyl)benzoic acid.
What is the SMILES notation for 2-(4-morpholin-4-ylbenzoyl)benzoic acid?
The canonical SMILES for 2-(4-morpholin-4-ylbenzoyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(4-morpholin-4-ylbenzoyl)benzoic acid?
The InChIKey is HKYNHWGOUXVCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-17(15-3-1-2-4-16(15)18(21)22)13-5-7-14(8-6-13)19-9-11-23-12-10-19/h1-8H,9-12H2,(H,21,22).
What are the key properties of 2-(4-morpholin-4-ylbenzoyl)benzoic acid?
2-(4-morpholin-4-ylbenzoyl)benzoic acid has a molecular weight of 311.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylbenzoyl)benzoic acid is sourced from PubChem (CID 20536938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).