[(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate

C12H15Cl2NO3 — CID 68641962

IUPAC[(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate
SMILESCC(C)[C@@H](OC(N)=O)[C@H](O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-6(2)11(18-12(15)17)10(16)9-7(13)4-3-5-8(9)14/h3-6,10-11,16H,1-2H3,(H2,15,17)/t10-,11-/m1/s1
InChIKeyCSFUKAVUWNQUCH-GHMZBOCLSA-N
MW292.16 g/mol
LogP3.15
Rot. Bonds4

About [(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate

[(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate (PubChem CID 68641962) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is [(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate
PubChem CID68641962
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Name[(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate
SMILESCC(C)[C@@H](OC(N)=O)[C@H](O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-6(2)11(18-12(15)17)10(16)9-7(13)4-3-5-8(9)14/h3-6,10-11,16H,1-2H3,(H2,15,17)/t10-,11-/m1/s1
InChIKeyCSFUKAVUWNQUCH-GHMZBOCLSA-N
XLogP3.15
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(2,6-dichlorophenyl)-2-hydroxybutyl] carbamate
CID 130340375
[1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate
CID 123775116
diethyl 2-[(2,6-dichlorophenyl)-hydroxymethyl]propanedioate
CID 62393511
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
CID 68641294
2-[(2-chloro-6-methoxyphenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 104818478
[(1S,2S)-1-(3,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 137375869
ethyl 2-[(2,6-dichlorophenyl)-hydroxymethyl]pentanoate
CID 83043683
2-amino-1-(2-chloro-6-methoxyphenyl)propan-1-ol
CID 84681417
2-(2,6-dichlorophenyl)-2-(propan-2-ylamino)acetamide
CID 60787013
(3-carbamoyloxy-4-methylpentan-2-yl) carbamate
CID 140688379
[1-(2,6-dichlorophenyl)-2-hydroxyhex-5-enyl] carbamate
CID 163921321

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate?
The IUPAC name of [(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate (CID 68641962) is [(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate.
What is the SMILES notation for [(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate?
The canonical SMILES for [(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate is CC(C)[C@@H](OC(N)=O)[C@H](O)c1c(Cl)cccc1Cl.
What is the InChIKey of [(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate?
The InChIKey is CSFUKAVUWNQUCH-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-6(2)11(18-12(15)17)10(16)9-7(13)4-3-5-8(9)14/h3-6,10-11,16H,1-2H3,(H2,15,17)/t10-,11-/m1/s1.
What are the key properties of [(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate?
[(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate has a molecular weight of 292.16 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate is sourced from PubChem (CID 68641962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).