tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate

C11H14ClNO3 — CID 54121498

IUPACtert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C11H14ClNO3/c1-11(2,3)16-10(15)13-9-5-4-7(14)6-8(9)12/h4-6,14H,1-3H3,(H,13,15)
InChIKeyNNZQCBACLBXJGU-UHFFFAOYSA-N
MW243.69 g/mol
LogP3.39
Rot. Bonds1

About tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate

tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate (PubChem CID 54121498) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
PubChem CID54121498
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Nametert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(O)cc1Cl
InChIInChI=1S/C11H14ClNO3/c1-11(2,3)16-10(15)13-9-5-4-7(14)6-8(9)12/h4-6,14H,1-3H3,(H,13,15)
InChIKeyNNZQCBACLBXJGU-UHFFFAOYSA-N
XLogP3.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 53.39
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

tert-butyl N-[2-chloro-4-(chloromethyl)phenyl]carbamate
CID 117236536
tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate
CID 143575571
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
tert-butyl N-(2,5-dichlorophenyl)carbamate
CID 4935502
tert-butyl N-[2-(bromomethyl)-5-hydroxyphenyl]carbamate
CID 117236595
[5-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]azanium
CID 144745130
tert-butyl N-(5-amino-3-chloro-2-methylphenyl)carbamate
CID 172602283
tert-butyl N-[(2S)-1-(2-chloro-4-methylanilino)-1-oxopropan-2-yl]carbamate
CID 51938329
tert-butyl N-(2-chloro-4-fluoro-5-methylphenyl)carbamate
CID 130520747
tert-butyl N-[2-chloro-4-(6-methylpyrazin-2-yl)phenyl]carbamate
CID 101043683
tert-butyl N-(2-acetyl-4-methylphenyl)carbamate
CID 143444258
tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate
CID 131118705

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate (CID 54121498) is tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(O)cc1Cl.
What is the InChIKey of tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate?
The InChIKey is NNZQCBACLBXJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-11(2,3)16-10(15)13-9-5-4-7(14)6-8(9)12/h4-6,14H,1-3H3,(H,13,15).
What are the key properties of tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate?
tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate has a molecular weight of 243.69 g/mol, XLogP of 3.39, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate is sourced from PubChem (CID 54121498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).