ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate

C11H14ClNO3 — CID 100965495

IUPACethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H14ClNO3/c1-2-16-11(15)13-6-5-8-3-4-10(14)9(12)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyLBNIFMKDGKKEMR-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.33
Rot. Bonds4

About ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate

ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate (PubChem CID 100965495) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate
PubChem CID100965495
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Nameethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate
SMILESCCOC(=O)NCCc1ccc(O)c(Cl)c1
InChIInChI=1S/C11H14ClNO3/c1-2-16-11(15)13-6-5-8-3-4-10(14)9(12)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15)
InChIKeyLBNIFMKDGKKEMR-UHFFFAOYSA-N
XLogP2.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(3-chloro-4-hydroxyphenyl)ethyl acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate?
The IUPAC name of ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate (CID 100965495) is ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate?
The canonical SMILES for ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate is CCOC(=O)NCCc1ccc(O)c(Cl)c1.
What is the InChIKey of ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate?
The InChIKey is LBNIFMKDGKKEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-2-16-11(15)13-6-5-8-3-4-10(14)9(12)7-8/h3-4,7,14H,2,5-6H2,1H3,(H,13,15).
What are the key properties of ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate?
ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate has a molecular weight of 243.69 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(3-chloro-4-hydroxyphenyl)ethyl]carbamate is sourced from PubChem (CID 100965495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).