4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

C14H12ClNO3 — CID 136961612

IUPAC4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1cc(-c2ccc(O)c(Cl)c2)ccc1O
InChIInChI=1S/C14H12ClNO3/c1-8(16-19)11-6-9(2-4-13(11)17)10-3-5-14(18)12(15)7-10/h2-7,17-19H,1H3/b16-8+
InChIKeyGOCXFKLYXVKGIP-LZYBPNLTSA-N
MW277.71 g/mol
LogP3.62
Rot. Bonds2

About 4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol

4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (PubChem CID 136961612) has the molecular formula C14H12ClNO3 and a molecular weight of 277.71 g/mol. Its IUPAC name is 4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.

Molecular Properties

Compound Name4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
PubChem CID136961612
Molecular FormulaC14H12ClNO3
Molecular Weight277.71 g/mol
Exact Mass277.05
IUPAC Name4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
SMILESC/C(=N\O)c1cc(-c2ccc(O)c(Cl)c2)ccc1O
InChIInChI=1S/C14H12ClNO3/c1-8(16-19)11-6-9(2-4-13(11)17)10-3-5-14(18)12(15)7-10/h2-7,17-19H,1H3/b16-8+
InChIKeyGOCXFKLYXVKGIP-LZYBPNLTSA-N
XLogP3.62
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3-fluoro-4-hydroxyphenyl)-6-[(E)-hydroxyiminomethyl]phenol
CID 135931707
Ethanone, 1-(3,5-dichloro-2-hydroxyphenyl)-, oxime
CID 135520614
2-Chloro-4-[(E)-(Hydroxyimino)methyl][1,1'-Biphenyl]-3,4'-Diol
CID 135567290
2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(Z)-hydroxyiminomethyl]phenol
CID 136772757
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
2-[(E)-N-hydroxy-C-pentadecylcarbonimidoyl]-4-(4-hydroxyphenyl)phenol
CID 145989224
4-(3-Chlorophenyl)-2-methylphenol
CID 44450633
2-chloro-6-[5-(4-fluorophenyl)-4H-pyrazol-3-yl]phenol
CID 135980482
(2-Hydroxy-5-methylphenyl)(phenyl)methanone oxime
CID 135699305

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The IUPAC name of 4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol (CID 136961612) is 4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol.
What is the SMILES notation for 4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The canonical SMILES for 4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is C/C(=N\O)c1cc(-c2ccc(O)c(Cl)c2)ccc1O.
What is the InChIKey of 4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
The InChIKey is GOCXFKLYXVKGIP-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H12ClNO3/c1-8(16-19)11-6-9(2-4-13(11)17)10-3-5-14(18)12(15)7-10/h2-7,17-19H,1H3/b16-8+.
What are the key properties of 4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol?
4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol has a molecular weight of 277.71 g/mol, XLogP of 3.62, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol is sourced from PubChem (CID 136961612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).