2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol

C12H16ClNO2 — CID 135430304

IUPAC2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol
SMILESCCCCC/C(=N\O)c1cccc(Cl)c1O
InChIInChI=1S/C12H16ClNO2/c1-2-3-4-8-11(14-16)9-6-5-7-10(13)12(9)15/h5-7,15-16H,2-4,8H2,1H3/b14-11+
InChIKeyLHLXCEARNJJBKW-SDNWHVSQSA-N
MW241.72 g/mol
LogP3.80
Rot. Bonds5

About 2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol

2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol (PubChem CID 135430304) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol.

Molecular Properties

Compound Name2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol
PubChem CID135430304
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol
SMILESCCCCC/C(=N\O)c1cccc(Cl)c1O
InChIInChI=1S/C12H16ClNO2/c1-2-3-4-8-11(14-16)9-6-5-7-10(13)12(9)15/h5-7,15-16H,2-4,8H2,1H3/b14-11+
InChIKeyLHLXCEARNJJBKW-SDNWHVSQSA-N
XLogP3.80
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.80
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

7-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]quinolin-8-ol
CID 136886731
4-(N-hydroxy-C-nonylcarbonimidoyl)benzene-1,3-diol
CID 4643220
4-[(E)-N-hydroxy-C-octylcarbonimidoyl]benzene-1,3-diol
CID 135679169
(NZ)-N-(1-phenyloctylidene)hydroxylamine
CID 5372164
(NE)-N-(1-phenyldodecylidene)hydroxylamine
CID 6013511
(NE)-N-(1-phenyltetradecylidene)hydroxylamine
CID 6283340
2-[(Z)-N-hydroxy-C-nonylcarbonimidoyl]-4-methylphenol
CID 135948988
2-(N-hydroxy-C-propylcarbonimidoyl)phenol
CID 577235
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
4-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 136661885
4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135822572
4-butoxy-2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135615488

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol?
The IUPAC name of 2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol (CID 135430304) is 2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol.
What is the SMILES notation for 2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol?
The canonical SMILES for 2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol is CCCCC/C(=N\O)c1cccc(Cl)c1O.
What is the InChIKey of 2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol?
The InChIKey is LHLXCEARNJJBKW-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-2-3-4-8-11(14-16)9-6-5-7-10(13)12(9)15/h5-7,15-16H,2-4,8H2,1H3/b14-11+.
What are the key properties of 2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol?
2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol has a molecular weight of 241.72 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(E)-N-hydroxy-C-pentylcarbonimidoyl]phenol is sourced from PubChem (CID 135430304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).