[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate

C9H10ClNO3 — CID 6918474

💊View drug profile → carisbamate
IUPAC[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate
SMILESNC(=O)OC[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1
InChIKeyOLBWFRRUHYQABZ-MRVPVSSYSA-N
MW215.64 g/mol
LogP1.47
Rot. Bonds3

About [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate

[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate (PubChem CID 6918474) has the molecular formula C9H10ClNO3 and a molecular weight of 215.64 g/mol. Its IUPAC name is [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate.

Molecular Properties

Compound Name[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate
PubChem CID6918474
Molecular FormulaC9H10ClNO3
Molecular Weight215.64 g/mol
Exact Mass215.03
IUPAC Name[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate
SMILESNC(=O)OC[C@@H](O)c1ccccc1Cl
InChIInChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1
InChIKeyOLBWFRRUHYQABZ-MRVPVSSYSA-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

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1-(2-Chlorophenyl)propan-2-yl hydrogen carbonimidate
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1-(2-Chlorophenyl)propyl hydrogen carbonimidate
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Jbpos-0101
CID 57524523
1-(2-Chlorophenyl)ethane-1,2-diol
CID 101026
SQ-10220
CID 15131
Carbamic acid, 3-(o-chlorophenyl)-2,2-dichloro-3-hydroxypropyl ester
CID 19109
Carbamic acid, 3-(m-chlorophenyl)-2,2-dichloro-3-hydroxypropyl ester
CID 19110
1-(4-Chlorophenyl)-2,2-dimethyl-1,3-propanediol-3-carbamate
CID 3481451
1-(2-Chlorophenyl)but-3-en-1-ol
CID 346412
Carbamic acid, 3-hydroxy-3-phenylpropyl ester
CID 572086

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate?
The IUPAC name of [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate (CID 6918474) is [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate.
What is the SMILES notation for [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate?
The canonical SMILES for [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate is NC(=O)OC[C@@H](O)c1ccccc1Cl.
What is the InChIKey of [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate?
The InChIKey is OLBWFRRUHYQABZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10ClNO3/c10-7-4-2-1-3-6(7)8(12)5-14-9(11)13/h1-4,8,12H,5H2,(H2,11,13)/t8-/m1/s1.
What are the key properties of [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate?
[(2S)-2-(2-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 [(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] carbamate is sourced from PubChem (CID 6918474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).