[1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate

C12H15Cl2NO3 — CID 123775116

IUPAC[1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate
SMILESCCCC(O)C(OC(N)=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-2-4-9(16)11(18-12(15)17)10-7(13)5-3-6-8(10)14/h3,5-6,9,11,16H,2,4H2,1H3,(H2,15,17)
InChIKeyUZODTPYFSDUIOF-UHFFFAOYSA-N
MW292.16 g/mol
LogP3.29
Rot. Bonds5

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

[1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate (PubChem CID 123775116) has the molecular formula C12H15Cl2NO3 and a molecular weight of 292.16 g/mol. Its IUPAC name is [1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate.

Molecular Properties

Compound Name[1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate
PubChem CID123775116
Molecular FormulaC12H15Cl2NO3
Molecular Weight292.16 g/mol
Exact Mass291.04
IUPAC Name[1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate
SMILESCCCC(O)C(OC(N)=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H15Cl2NO3/c1-2-4-9(16)11(18-12(15)17)10-7(13)5-3-6-8(10)14/h3,5-6,9,11,16H,2,4H2,1H3,(H2,15,17)
InChIKeyUZODTPYFSDUIOF-UHFFFAOYSA-N
XLogP3.29
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 53.29
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-hydroxyhex-5-enyl] carbamate
CID 163921321
(1S,2S)-1-[amino(hydroxy)methoxy]-1-(2,6-dichlorophenyl)hexan-2-ol
CID 126633859
(1R,2R)-1-(2,6-dichlorophenyl)-1-methoxyhexan-2-ol
CID 137375812
ethyl 2-[(2,6-dichlorophenyl)-hydroxymethyl]pentanoate
CID 83043683
[1-(2,4-dichlorophenyl)-2-hydroxyhexyl] carbamate
CID 56596318
[(1R,2R)-1-(2,6-dichlorophenyl)-1-hydroxy-3-methylbutan-2-yl] carbamate
CID 68641962
diethyl 2-[(2,6-dichlorophenyl)-hydroxymethyl]propanedioate
CID 62393511
(1S,2R)-1-amino-1-(2-chloro-6-fluorophenyl)pentan-2-ol
CID 171161505
[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
CID 68641294
1-(2,6-dichlorophenyl)butan-1-amine
CID 112693515
(1S)-1-(2,6-dichlorophenyl)butan-1-amine
CID 130714755

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate?
The IUPAC name of [1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate (CID 123775116) is [1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate.
What is the SMILES notation for [1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate?
The canonical SMILES for [1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate is CCCC(O)C(OC(N)=O)c1c(Cl)cccc1Cl.
What is the InChIKey of [1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate?
The InChIKey is UZODTPYFSDUIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3/c1-2-4-9(16)11(18-12(15)17)10-7(13)5-3-6-8(10)14/h3,5-6,9,11,16H,2,4H2,1H3,(H2,15,17).
What are the key properties of [1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate?
[1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate has a molecular weight of 292.16 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,6-dichlorophenyl)-2-hydroxypentyl] carbamate is sourced from PubChem (CID 123775116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).