tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate

C12H15Cl2NO3 — CID 20610080

IUPACtert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO3/c1-12(2,3)18-11(17)15-6-7-4-8(13)10(16)9(14)5-7/h4-5,16H,6H2,1-3H3,(H,15,17)
InChIKeyAEKSIKRZLBCJBX-UHFFFAOYSA-N
MW292.16 g/mol
LogP3.72
Rot. Bonds2

About tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate

tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate (PubChem CID 20610080) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate
PubChem CID20610080
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Nametert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO3/c1-12(2,3)18-11(17)15-6-7-4-8(13)10(16)9(14)5-7/h4-5,16H,6H2,1-3H3,(H,15,17)
InChIKeyAEKSIKRZLBCJBX-UHFFFAOYSA-N
XLogP3.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-[(3,5-dichloro-4-hydroxybenzoyl)amino]phenyl]methyl]carbamate
CID 143492212
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tert-butyl N-[(2-methyl-6-oxo-1H-pyridin-4-yl)methyl]carbamate
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tert-butyl N-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]carbamate
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tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
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tert-butyl N-[[3-bromo-4-hydroxy-5-(methylideneamino)phenyl]methyl]carbamate
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tert-butyl N-[[3-hydroxy-5-(trifluoromethoxy)phenyl]methyl]carbamate
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tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
tert-butyl N-[(3-hydroxy-5-nitrophenyl)methyl]carbamate
CID 170647020
tert-butyl N-[[3,5-difluoro-4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate (CID 20610080) is tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate is CC(C)(C)OC(=O)NCc1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate?
The InChIKey is AEKSIKRZLBCJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-12(2,3)18-11(17)15-6-7-4-8(13)10(16)9(14)5-7/h4-5,16H,6H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate?
tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate has a molecular weight of 292.16 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3,5-dichloro-4-hydroxyphenyl)methyl]carbamate is sourced from PubChem (CID 20610080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).