(6Z)-6-hydroxyimino-6-phenylhexanoic acid

C12H15NO3 — CID 121009203

IUPAC(6Z)-6-hydroxyimino-6-phenylhexanoic acid
SMILESO=C(O)CCCC/C(=N/O)c1ccccc1
InChIInChI=1S/C12H15NO3/c14-12(15)9-5-4-8-11(13-16)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2,(H,14,15)/b13-11-
InChIKeyPBCPTERMUCBORC-QBFSEMIESA-N
MW221.26 g/mol
LogP2.51
Rot. Bonds6

About (6Z)-6-hydroxyimino-6-phenylhexanoic acid

(6Z)-6-hydroxyimino-6-phenylhexanoic acid (PubChem CID 121009203) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (6Z)-6-hydroxyimino-6-phenylhexanoic acid.

Molecular Properties

Compound Name(6Z)-6-hydroxyimino-6-phenylhexanoic acid
PubChem CID121009203
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(6Z)-6-hydroxyimino-6-phenylhexanoic acid
SMILESO=C(O)CCCC/C(=N/O)c1ccccc1
InChIInChI=1S/C12H15NO3/c14-12(15)9-5-4-8-11(13-16)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2,(H,14,15)/b13-11-
InChIKeyPBCPTERMUCBORC-QBFSEMIESA-N
XLogP2.51
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

8-hydroxyimino-8-phenyloctanoic acid
CID 85433757
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
methyl 5-hydroxyimino-5-phenylpentanoate
CID 85308138
N-[(4Z)-4-hydroxyimino-4-phenylbutyl]acetamide
CID 121011594
N-(1-phenylhex-5-ynylidene)hydroxylamine
CID 131845523
(4Z)-4-(4-benzamidophenyl)-4-hydroxyiminobutanoic acid
CID 10193227
4-[(3-carboxy-1-phenylpropylidene)hydrazinylidene]-4-phenylbutanoic acid
CID 2834574
(8E)-N-hydroxy-8-hydroxyimino-8-(4-phenylphenyl)octanamide
CID 10088613
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
N-hydroxy-2-[4-[(4Z)-4-hydroxyimino-4-phenylbutyl]phenyl]acetamide
CID 90006215

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-hydroxyimino-6-phenylhexanoic acid?
The IUPAC name of (6Z)-6-hydroxyimino-6-phenylhexanoic acid (CID 121009203) is (6Z)-6-hydroxyimino-6-phenylhexanoic acid.
What is the SMILES notation for (6Z)-6-hydroxyimino-6-phenylhexanoic acid?
The canonical SMILES for (6Z)-6-hydroxyimino-6-phenylhexanoic acid is O=C(O)CCCC/C(=N/O)c1ccccc1.
What is the InChIKey of (6Z)-6-hydroxyimino-6-phenylhexanoic acid?
The InChIKey is PBCPTERMUCBORC-QBFSEMIESA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(15)9-5-4-8-11(13-16)10-6-2-1-3-7-10/h1-3,6-7,16H,4-5,8-9H2,(H,14,15)/b13-11-.
What are the key properties of (6Z)-6-hydroxyimino-6-phenylhexanoic acid?
(6Z)-6-hydroxyimino-6-phenylhexanoic acid has a molecular weight of 221.26 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-hydroxyimino-6-phenylhexanoic acid is sourced from PubChem (CID 121009203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).