[2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol

C14H12ClNO2 — CID 11482402

IUPAC[2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol
SMILESOCc1ccccc1/C(=N\O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-12-7-5-10(6-8-12)14(16-18)13-4-2-1-3-11(13)9-17/h1-8,17-18H,9H2/b16-14-
InChIKeyAUFPUNXWKMNUKQ-PEZBUJJGSA-N
MW261.71 g/mol
LogP3.06
Rot. Bonds3

About [2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol

[2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol (PubChem CID 11482402) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is [2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol
PubChem CID11482402
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name[2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol
SMILESOCc1ccccc1/C(=N\O)c1ccc(Cl)cc1
InChIInChI=1S/C14H12ClNO2/c15-12-7-5-10(6-8-12)14(16-18)13-4-2-1-3-11(13)9-17/h1-8,17-18H,9H2/b16-14-
InChIKeyAUFPUNXWKMNUKQ-PEZBUJJGSA-N
XLogP3.06
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

[2-[N-hydroxy-C-[4-(trifluoromethyl)phenyl]carbonimidoyl]phenyl]methanol
CID 139855118
(NE)-N-[(5-aminopyridazin-4-yl)-(4-chlorophenyl)methylidene]hydroxylamine
CID 137284435
[2-[C-(4-chlorophenyl)-N-ethoxycarbonimidoyl]phenyl]methyl acetate
CID 139855111
N-[(4-bromophenyl)-(2,4-dichlorophenyl)methylidene]hydroxylamine
CID 73431883
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
(NZ)-N-[(2-aminophenyl)-phenylmethylidene]hydroxylamine
CID 5376029
(NE)-N-[(2-methylphenyl)-phenylmethylidene]hydroxylamine
CID 12003652
2-[(4-chloroanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 77026609
2-[(4-chlorophenoxy)methyl]-N'-hydroxybenzenecarboximidamide
CID 43185374
[2-(hydroxymethyl)phenyl]methanol;methane
CID 143282166
N-(dinaphthalen-1-ylmethylidene)hydroxylamine
CID 88653107
N-[4-chloro-2-(N-hydroxy-C-phenylcarbonimidoyl)phenyl]-2-dodecylbenzenesulfonamide
CID 154094629

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol?
The IUPAC name of [2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol (CID 11482402) is [2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol.
What is the SMILES notation for [2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol?
The canonical SMILES for [2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol is OCc1ccccc1/C(=N\O)c1ccc(Cl)cc1.
What is the InChIKey of [2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol?
The InChIKey is AUFPUNXWKMNUKQ-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-12-7-5-10(6-8-12)14(16-18)13-4-2-1-3-11(13)9-17/h1-8,17-18H,9H2/b16-14-.
What are the key properties of [2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol?
[2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol has a molecular weight of 261.71 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-C-(4-chlorophenyl)-N-hydroxycarbonimidoyl]phenyl]methanol is sourced from PubChem (CID 11482402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).