[(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate

C10H11Cl2NO3 — CID 137375869

IUPAC[(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
SMILESC[C@H](OC(N)=O)[C@@H](O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO3/c1-5(16-10(13)15)9(14)6-2-3-7(11)8(12)4-6/h2-5,9,14H,1H3,(H2,13,15)/t5-,9+/m0/s1
InChIKeyHRXOMKQMMYKYGR-SSDLBLMSSA-N
MW264.11 g/mol
LogP2.51
Rot. Bonds3

About [(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate

[(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate (PubChem CID 137375869) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is [(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate.

Molecular Properties

Compound Name[(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
PubChem CID137375869
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name[(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
SMILESC[C@H](OC(N)=O)[C@@H](O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO3/c1-5(16-10(13)15)9(14)6-2-3-7(11)8(12)4-6/h2-5,9,14H,1H3,(H2,13,15)/t5-,9+/m0/s1
InChIKeyHRXOMKQMMYKYGR-SSDLBLMSSA-N
XLogP2.51
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
[(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 145362480
1-(3,4-dichlorophenyl)-3-methylbutane-1,2-diol
CID 103456454
methyl 2-(3,4-dichlorophenyl)propanoate
CID 11402033
[(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]-2-methylpropyl] carbamate
CID 175522367
1-(3,4-dichlorophenyl)ethyl 5-carbamoylpyridine-2-carboxylate
CID 51102555
[(1S)-1-(3,4-dichlorophenyl)ethyl] 5-carbamoylpyridine-2-carboxylate
CID 94821905
ethyl 3-amino-2-(3,4-dichlorophenyl)-3-oxopropanoate
CID 70584243
(2R)-1-(3,4-dichlorophenyl)butane-1,2-diol
CID 140978275
[(1S)-1-(4-chlorophenyl)ethyl] carbamate
CID 174363782
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)acetate;hydrochloride
CID 155903191
[(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate
CID 68641962

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate?
The IUPAC name of [(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate (CID 137375869) is [(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate.
What is the SMILES notation for [(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate?
The canonical SMILES for [(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate is C[C@H](OC(N)=O)[C@@H](O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of [(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate?
The InChIKey is HRXOMKQMMYKYGR-SSDLBLMSSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-5(16-10(13)15)9(14)6-2-3-7(11)8(12)4-6/h2-5,9,14H,1H3,(H2,13,15)/t5-,9+/m0/s1.
What are the key properties of [(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate?
[(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate has a molecular weight of 264.11 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate is sourced from PubChem (CID 137375869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).