[(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate

C11H13Cl2NO3 — CID 130340375

IUPAC[(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate
SMILESCC[C@H](O)C(OC(N)=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO3/c1-2-8(15)10(17-11(14)16)9-6(12)4-3-5-7(9)13/h3-5,8,10,15H,2H2,1H3,(H2,14,16)/t8-,10?/m0/s1
InChIKeyWXEOUKRIEUCMIN-PEHGTWAWSA-N
MW278.13 g/mol
LogP2.90
Rot. Bonds4

About [(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate

[(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate (PubChem CID 130340375) has the molecular formula C11H13Cl2NO3 and a molecular weight of 278.13 g/mol. Its IUPAC name is [(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate.

Molecular Properties

Compound Name[(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate
PubChem CID130340375
Molecular FormulaC11H13Cl2NO3
Molecular Weight278.13 g/mol
Exact Mass277.03
IUPAC Name[(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate
SMILESCC[C@H](O)C(OC(N)=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H13Cl2NO3/c1-2-8(15)10(17-11(14)16)9-6(12)4-3-5-7(9)13/h3-5,8,10,15H,2H2,1H3,(H2,14,16)/t8-,10?/m0/s1
InChIKeyWXEOUKRIEUCMIN-PEHGTWAWSA-N
XLogP2.90
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate
CID 123775116
[1-(2,6-dichlorophenyl)-2-hydroxyhex-5-enyl] carbamate
CID 163921321
[(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate
CID 68641962
[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
CID 68641294
(1S,2S)-1-[amino(hydroxy)methoxy]-1-(2,6-dichlorophenyl)hexan-2-ol
CID 126633859
diethyl 2-[(2,6-dichlorophenyl)-hydroxymethyl]propanedioate
CID 62393511
(1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol
CID 137375812
3-amino-1-(2,6-dichlorophenyl)propane-1,2-diol
CID 170827623
ethyl 2-[(2,6-dichlorophenyl)-hydroxymethyl]pentanoate
CID 83043683
(2-hydroxy-3-methylpentyl) 2,6-dichlorobenzoate
CID 23597193
[(3S)-2-hydroxy-3-methylpentyl] 2,6-dichlorobenzoate
CID 58594548
ethyl 3-(2,6-dichlorophenyl)butanoate
CID 145081083

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate?
The IUPAC name of [(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate (CID 130340375) is [(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate.
What is the SMILES notation for [(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate?
The canonical SMILES for [(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate is CC[C@H](O)C(OC(N)=O)c1c(Cl)cccc1Cl.
What is the InChIKey of [(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate?
The InChIKey is WXEOUKRIEUCMIN-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H13Cl2NO3/c1-2-8(15)10(17-11(14)16)9-6(12)4-3-5-7(9)13/h3-5,8,10,15H,2H2,1H3,(H2,14,16)/t8-,10?/m0/s1.
What are the key properties of [(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate?
[(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate has a molecular weight of 278.13 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate is sourced from PubChem (CID 130340375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).