methyl N-(3-chloro-4-hydroxyphenyl)carbamate

C8H8ClNO3 — CID 18932212

IUPACmethyl N-(3-chloro-4-hydroxyphenyl)carbamate
SMILESCOC(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H8ClNO3/c1-13-8(12)10-5-2-3-7(11)6(9)4-5/h2-4,11H,1H3,(H,10,12)
InChIKeyRDYWPHRUXXOABY-UHFFFAOYSA-N
MW201.61 g/mol
LogP2.22
Rot. Bonds1

About methyl N-(3-chloro-4-hydroxyphenyl)carbamate

methyl N-(3-chloro-4-hydroxyphenyl)carbamate (PubChem CID 18932212) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is methyl N-(3-chloro-4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-chloro-4-hydroxyphenyl)carbamate
PubChem CID18932212
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Namemethyl N-(3-chloro-4-hydroxyphenyl)carbamate
SMILESCOC(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C8H8ClNO3/c1-13-8(12)10-5-2-3-7(11)6(9)4-5/h2-4,11H,1H3,(H,10,12)
InChIKeyRDYWPHRUXXOABY-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
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methyl N-(4-chloro-3-methylphenyl)carbamate
CID 67274830
methyl N-(3-fluoro-4-hydroxyphenyl)carbamate
CID 64780328
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide
CID 63937740
N-(3-chloro-4-hydroxyphenyl)-4-methoxy-2-methylbutanamide
CID 86785937
methyl N-(3-chlorophenyl)carbamate
CID 16529
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide
CID 107679870
methyl N-[3-chloro-4-(4-methylphenyl)sulfanylphenyl]carbamate
CID 71421286

Frequently Asked Questions

What is the IUPAC name of methyl N-(3-chloro-4-hydroxyphenyl)carbamate?
The IUPAC name of methyl N-(3-chloro-4-hydroxyphenyl)carbamate (CID 18932212) is methyl N-(3-chloro-4-hydroxyphenyl)carbamate.
What is the SMILES notation for methyl N-(3-chloro-4-hydroxyphenyl)carbamate?
The canonical SMILES for methyl N-(3-chloro-4-hydroxyphenyl)carbamate is COC(=O)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of methyl N-(3-chloro-4-hydroxyphenyl)carbamate?
The InChIKey is RDYWPHRUXXOABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c1-13-8(12)10-5-2-3-7(11)6(9)4-5/h2-4,11H,1H3,(H,10,12).
What are the key properties of methyl N-(3-chloro-4-hydroxyphenyl)carbamate?
methyl N-(3-chloro-4-hydroxyphenyl)carbamate has a molecular weight of 201.61 g/mol, XLogP of 2.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-chloro-4-hydroxyphenyl)carbamate is sourced from PubChem (CID 18932212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).