11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid

C23H27NO5 — CID 141033903

IUPAC11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCc1cc(=O)cc2oc3cc(O)ccc3nc1-2
InChIInChI=1S/C23H27NO5/c25-17-11-12-19-20(14-17)29-21-15-18(26)13-16(23(21)24-19)9-7-5-3-1-2-4-6-8-10-22(27)28/h11-15,25H,1-10H2,(H,27,28)
InChIKeyFKIWLMRANWWVJM-UHFFFAOYSA-N
MW397.47 g/mol
LogP5.14
Rot. Bonds11

About 11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid

11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid (PubChem CID 141033903) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is 11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid.

Molecular Properties

Compound Name11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid
PubChem CID141033903
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid
SMILESO=C(O)CCCCCCCCCCc1cc(=O)cc2oc3cc(O)ccc3nc1-2
InChIInChI=1S/C23H27NO5/c25-17-11-12-19-20(14-17)29-21-15-18(26)13-16(23(21)24-19)9-7-5-3-1-2-4-6-8-10-22(27)28/h11-15,25H,1-10H2,(H,27,28)
InChIKeyFKIWLMRANWWVJM-UHFFFAOYSA-N
XLogP5.14
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(7-hydroxy-3-oxophenoxazin-1-yl) octanoate
CID 153418757
6-(2,5-dihydroxyphenyl)hexanoic acid
CID 54544724
5-(6-hydroxy-1H-benzimidazol-2-yl)pentanoic acid
CID 81431385
18-(7-hydroxy-2-oxochromen-3-yl)octadeca-6,9,12-trienoic acid
CID 90738119
7-hydroxy-1-(4-methoxyphenyl)phenoxazin-3-one
CID 140575281
6-(2-methyl-1,3-benzoxazol-6-yl)hexanoic acid
CID 98784268
[9-(2-methylpropyl)-7-oxophenoxazin-3-yl] hydrogen carbonate
CID 66588407
6-(1,3-benzoxazol-2-yl)hexanoic acid
CID 18979147
11-(3-oxocyclopropen-1-yl)undecanoic acid
CID 10243288
11-(2-hexyl-5-hydroxyphenoxy)undecanoic acid
CID 68915235
5-(7-hydroxy-4-methyl-2-oxochromen-3-yl)pentanoic acid
CID 174692829
bis(6-hydroxy-1,3-benzoxazol-2-yl)methanone
CID 174634170

Frequently Asked Questions

What is the IUPAC name of 11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid?
The IUPAC name of 11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid (CID 141033903) is 11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid.
What is the SMILES notation for 11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid?
The canonical SMILES for 11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid is O=C(O)CCCCCCCCCCc1cc(=O)cc2oc3cc(O)ccc3nc1-2.
What is the InChIKey of 11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid?
The InChIKey is FKIWLMRANWWVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c25-17-11-12-19-20(14-17)29-21-15-18(26)13-16(23(21)24-19)9-7-5-3-1-2-4-6-8-10-22(27)28/h11-15,25H,1-10H2,(H,27,28).
What are the key properties of 11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid?
11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid has a molecular weight of 397.47 g/mol, XLogP of 5.14, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(7-hydroxy-3-oxophenoxazin-1-yl)undecanoic acid is sourced from PubChem (CID 141033903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).