4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

C14H12ClNO2 — CID 136961609

IUPAC4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1cc(-c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C14H12ClNO2/c1-9(16-18)13-8-11(4-7-14(13)17)10-2-5-12(15)6-3-10/h2-8,17-18H,1H3/b16-9+
InChIKeyPWFBFRHYYOUSFU-CXUHLZMHSA-N
MW261.71 g/mol
LogP3.91
Rot. Bonds2

About 4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 136961609) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID136961609
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1cc(-c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C14H12ClNO2/c1-9(16-18)13-8-11(4-7-14(13)17)10-2-5-12(15)6-3-10/h2-8,17-18H,1H3/b16-9+
InChIKeyPWFBFRHYYOUSFU-CXUHLZMHSA-N
XLogP3.91
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.91
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-Chloro-3'-Fluoro-3-[(E)-(Hydroxyimino)methyl]biphenyl-4,4'-Diol
CID 135566811
3-chloro-2-[(E)-hydroxyiminomethyl]-4-(4-hydroxyphenyl)phenol
CID 136000551
4-Chloro-6-[1-(hydroxyamino)ethylidene]cyclohexa-2,4-dien-1-one
CID 135589127
2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-(4-hydroxyphenyl)phenol
CID 136180341
4-(3-fluoro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136180342
4-(4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-tridecylcarbonimidoyl]phenol
CID 145979773
4-(3-fluoro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-pentadecylcarbonimidoyl]phenol
CID 145979792
4-(3-fluoro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-nonylcarbonimidoyl]phenol
CID 145987634
4-(3-fluoro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-tridecylcarbonimidoyl]phenol
CID 145988362
2-[(E)-N-hydroxy-C-pentadecylcarbonimidoyl]-4-(4-hydroxyphenyl)phenol
CID 145989224
4-(3-fluoro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 145990999
(E)-(3,5-ditert-butyl-4-hydroxyphenyl)(phenyl)methanone oxime
CID 140346301

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 136961609) is 4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is C/C(=N\O)c1cc(-c2ccc(Cl)cc2)ccc1O.
What is the InChIKey of 4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is PWFBFRHYYOUSFU-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H12ClNO2/c1-9(16-18)13-8-11(4-7-14(13)17)10-2-5-12(15)6-3-10/h2-8,17-18H,1H3/b16-9+.
What are the key properties of 4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 261.71 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 136961609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).