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

C10H11Cl2NO3 — CID 145362480

IUPAC[(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
SMILESC[C@@H](OC(N)=O)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-5(16-10(13)15)9(14)7-3-2-6(11)4-8(7)12/h2-5,9,14H,1H3,(H2,13,15)/t5-,9?/m1/s1
InChIKeyHMXUPXPKQDVYMA-RRPHZQQHSA-N
MW264.11 g/mol
LogP2.51
Rot. Bonds3

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

[(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate (PubChem CID 145362480) has the molecular formula C10H11Cl2NO3 and a molecular weight of 264.11 g/mol. Its IUPAC name is [(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
PubChem CID145362480
Molecular FormulaC10H11Cl2NO3
Molecular Weight264.11 g/mol
Exact Mass263.01
IUPAC Name[(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
SMILESC[C@@H](OC(N)=O)C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H11Cl2NO3/c1-5(16-10(13)15)9(14)7-3-2-6(11)4-8(7)12/h2-5,9,14H,1H3,(H2,13,15)/t5-,9?/m1/s1
InChIKeyHMXUPXPKQDVYMA-RRPHZQQHSA-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,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 137375869
[1-(2,4-dichlorophenyl)-2-hydroxyhexyl] carbamate
CID 56596318
[(1R)-1-(2,4-dichlorophenyl)hexyl] carbamate
CID 144705770
[(R)-(2,4-dichlorophenyl)-diethoxyphosphorylmethyl] carbamate
CID 2317807
[(3S)-1-(2,4-dichlorophenyl)-4-(methoxymethoxy)-3-methylbutyl] carbamate
CID 175407200
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
(1S,2R)-1-(2,4-dichlorophenyl)-2-methylbut-3-en-1-ol
CID 15421862
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 43176389
[(1R)-1-(2,4-dichlorophenyl)-2-(triazol-2-yl)ethyl] carbamate
CID 11962489
(1S)-1-(2,4-dichlorophenyl)ethanamine
CID 2496562
2-[(2,4-dichlorophenyl)-hydroxymethyl]prop-2-enamide
CID 101435730
1-(2,4-dichlorophenyl)-2,2-diethoxyethanol
CID 114281101

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate?
The IUPAC name of [(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate (CID 145362480) is [(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate.
What is the SMILES notation for [(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate?
The canonical SMILES for [(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate is C[C@@H](OC(N)=O)C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate?
The InChIKey is HMXUPXPKQDVYMA-RRPHZQQHSA-N. The full InChI is InChI=1S/C10H11Cl2NO3/c1-5(16-10(13)15)9(14)7-3-2-6(11)4-8(7)12/h2-5,9,14H,1H3,(H2,13,15)/t5-,9?/m1/s1.
What are the key properties of [(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate?
[(2R)-1-(2,4-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 [(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate is sourced from PubChem (CID 145362480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).