ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate

C9H9Cl2NO3 — CID 54000840

IUPACethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate
SMILESCCOC(=O)Nc1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO3/c1-2-15-9(14)12-8-6(11)3-5(10)4-7(8)13/h3-4,13H,2H2,1H3,(H,12,14)
InChIKeyKLMBCHKIXUZPBF-UHFFFAOYSA-N
MW250.08 g/mol
LogP3.27
Rot. Bonds2

About ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate

ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate (PubChem CID 54000840) has the molecular formula C9H9Cl2NO3 and a molecular weight of 250.08 g/mol. Its IUPAC name is ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate
PubChem CID54000840
Molecular FormulaC9H9Cl2NO3
Molecular Weight250.08 g/mol
Exact Mass249.00
IUPAC Nameethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate
SMILESCCOC(=O)Nc1c(O)cc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO3/c1-2-15-9(14)12-8-6(11)3-5(10)4-7(8)13/h3-4,13H,2H2,1H3,(H,12,14)
InChIKeyKLMBCHKIXUZPBF-UHFFFAOYSA-N
XLogP3.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
ethyl N-(3-chloro-1-fluoronaphthalen-2-yl)carbamate
CID 68805719
ethyl 2-[methyl-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]amino]acetate
CID 62013363
ethyl N-(3,5-dichloro-2-hydroxy-4-methylphenyl)carbamate
CID 102371943
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 60651437
propyl N-(2-chloro-4,6-dimethylphenyl)carbamate
CID 19174388
ethyl N-[(E)-2-cyano-3-(2,4,6-trichloroanilino)prop-2-enoyl]carbamate
CID 13014428
ethyl N-[4-[2-(tert-butylamino)-1-hydroxyethyl]-2,6-dichlorophenyl]carbamate;hydrochloride
CID 12861514
2-amino-N-(2,4,6-trichlorophenyl)pentanamide
CID 43650225
3,5-dichloro-2-[(4-ethoxy-4-oxobutanoyl)amino]benzoic acid
CID 43360203
ethyl 2-oxo-2-(2,4,6-trichlorophenyl)acetate
CID 105349729

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate?
The IUPAC name of ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate (CID 54000840) is ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate?
The canonical SMILES for ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate is CCOC(=O)Nc1c(O)cc(Cl)cc1Cl.
What is the InChIKey of ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate?
The InChIKey is KLMBCHKIXUZPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO3/c1-2-15-9(14)12-8-6(11)3-5(10)4-7(8)13/h3-4,13H,2H2,1H3,(H,12,14).
What are the key properties of ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate?
ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate has a molecular weight of 250.08 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,4-dichloro-6-hydroxyphenyl)carbamate is sourced from PubChem (CID 54000840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).