[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate

C9H10ClNO3 — CID 175035515

IUPAC[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate
SMILESNC(=O)O[C@@H](CO)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO3/c10-7-3-1-6(2-4-7)8(5-12)14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m0/s1
InChIKeyIRHRRLCGFJJGCY-QMMMGPOBSA-N
MW215.64 g/mol
LogP1.47
Rot. Bonds3

About [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate

[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate (PubChem CID 175035515) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate
PubChem CID175035515
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate
SMILESNC(=O)O[C@@H](CO)c1ccc(Cl)cc1
InChIInChI=1S/C9H10ClNO3/c10-7-3-1-6(2-4-7)8(5-12)14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m0/s1
InChIKeyIRHRRLCGFJJGCY-QMMMGPOBSA-N
XLogP1.47
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-carbamoyl-4-chlorophenyl)-2-hydroxyethyl] carbamate
CID 175023396
carbamoyl N-[(2S)-2-carbamoyloxy-2-(4-chlorophenyl)ethyl]carbamate
CID 22940933
2-(4-chlorophenyl)-2-hydroperoxyethanol
CID 25136213
[(1S)-1-(4-chlorophenyl)ethyl] carbamate
CID 174363782
[1-(5-chlorothiophen-2-yl)-2-hydroxyethyl] carbamate
CID 69369838
[1-(4-chlorophenyl)-2-(diaminomethylideneamino)ethyl] acetate
CID 139620384
(5S)-2-amino-5-(4-chlorophenyl)-5-methoxypentan-1-ol
CID 67179417
[(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate
CID 102028117
[2-(3-chlorophenyl)-1-phenylethyl] carbamate
CID 156884464
[(1R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 68632305
[(1S)-2-(4-chlorophenyl)-1-cyclopropyl-2-hydroxyethyl] carbamate
CID 126599768
2-(4-chlorophenyl)-2-phenylmethoxyethanol
CID 15497795

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate?
The IUPAC name of [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate (CID 175035515) is [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate is NC(=O)O[C@@H](CO)c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate?
The InChIKey is IRHRRLCGFJJGCY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10ClNO3/c10-7-3-1-6(2-4-7)8(5-12)14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m0/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate?
[(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate has a molecular weight of 215.64 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)-2-hydroxyethyl] carbamate is sourced from PubChem (CID 175035515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).