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

C9H10ClNO3 — CID 64787909

IUPACethyl N-(3-chloro-4-hydroxyphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C9H10ClNO3/c1-2-14-9(13)11-6-3-4-8(12)7(10)5-6/h3-5,12H,2H2,1H3,(H,11,13)
InChIKeyWBGKNLLBTGLNFD-UHFFFAOYSA-N
MW215.64 g/mol
LogP2.61
Rot. Bonds2

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

ethyl N-(3-chloro-4-hydroxyphenyl)carbamate (PubChem CID 64787909) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is ethyl N-(3-chloro-4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-chloro-4-hydroxyphenyl)carbamate
PubChem CID64787909
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Nameethyl N-(3-chloro-4-hydroxyphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C9H10ClNO3/c1-2-14-9(13)11-6-3-4-8(12)7(10)5-6/h3-5,12H,2H2,1H3,(H,11,13)
InChIKeyWBGKNLLBTGLNFD-UHFFFAOYSA-N
XLogP2.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 52.61
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

methyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 18932212
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
ethyl N-(3-chloro-4-nitrophenyl)carbamate
CID 22921588
ethyl N-[3-chloro-4-(iododisulfanyl)phenyl]carbamate
CID 21150725
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-(6-hydroxynaphthalen-2-yl)carbamate
CID 68802648
ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987218
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
2-aminoethyl N-(3-chloro-4-methylphenyl)carbamate
CID 79336918
ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate
CID 100965495
ethane;ethyl N-(4-methylphenyl)carbamate
CID 143199598

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-chloro-4-hydroxyphenyl)carbamate?
The IUPAC name of ethyl N-(3-chloro-4-hydroxyphenyl)carbamate (CID 64787909) is ethyl N-(3-chloro-4-hydroxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(3-chloro-4-hydroxyphenyl)carbamate?
The canonical SMILES for ethyl N-(3-chloro-4-hydroxyphenyl)carbamate is CCOC(=O)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of ethyl N-(3-chloro-4-hydroxyphenyl)carbamate?
The InChIKey is WBGKNLLBTGLNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c1-2-14-9(13)11-6-3-4-8(12)7(10)5-6/h3-5,12H,2H2,1H3,(H,11,13).
What are the key properties of ethyl N-(3-chloro-4-hydroxyphenyl)carbamate?
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate has a molecular weight of 215.64 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-chloro-4-hydroxyphenyl)carbamate is sourced from PubChem (CID 64787909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).