[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate

C10H12ClNO3 — CID 68641294

IUPAC[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
SMILESC[C@H](O)[C@@H](OC(N)=O)c1ccccc1Cl
InChIInChI=1S/C10H12ClNO3/c1-6(13)9(15-10(12)14)7-4-2-3-5-8(7)11/h2-6,9,13H,1H3,(H2,12,14)/t6-,9+/m0/s1
InChIKeyBFNFBBUERWPSQT-IMTBSYHQSA-N
MW229.66 g/mol
LogP1.86
Rot. Bonds3

About [(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate

[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate (PubChem CID 68641294) has the molecular formula C10H12ClNO3 and a molecular weight of 229.66 g/mol. Its IUPAC name is [(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate.

Molecular Properties

Compound Name[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
PubChem CID68641294
Molecular FormulaC10H12ClNO3
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
SMILESC[C@H](O)[C@@H](OC(N)=O)c1ccccc1Cl
InChIInChI=1S/C10H12ClNO3/c1-6(13)9(15-10(12)14)7-4-2-3-5-8(7)11/h2-6,9,13H,1H3,(H2,12,14)/t6-,9+/m0/s1
InChIKeyBFNFBBUERWPSQT-IMTBSYHQSA-N
XLogP1.86
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate
CID 56596269
[2-(2-chlorophenyl)-3-hydroxybutyl] carbamate
CID 174774368
[2-carbamoyloxy-1-(2-chlorophenyl)propyl]carbamic acid
CID 175407136
(1S,2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 137375754
(2S)-1-(2-chlorophenyl)-1-(methoxymethoxy)propan-2-ol
CID 147232320
[2-methoxy-1-(2-methylphenyl)propyl] carbamate
CID 123675693
[(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate
CID 130340375
(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid
CID 156875772
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
carbamoyl N-[2-carbamoyloxy-2-(2-chlorophenyl)ethyl]carbamate
CID 23292412
[2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium
CID 147632611

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate?
The IUPAC name of [(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate (CID 68641294) is [(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate.
What is the SMILES notation for [(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate?
The canonical SMILES for [(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate is C[C@H](O)[C@@H](OC(N)=O)c1ccccc1Cl.
What is the InChIKey of [(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate?
The InChIKey is BFNFBBUERWPSQT-IMTBSYHQSA-N. The full InChI is InChI=1S/C10H12ClNO3/c1-6(13)9(15-10(12)14)7-4-2-3-5-8(7)11/h2-6,9,13H,1H3,(H2,12,14)/t6-,9+/m0/s1.
What are the key properties of [(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate?
[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate has a molecular weight of 229.66 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate is sourced from PubChem (CID 68641294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).