[2-(2-chlorophenyl)-3-hydroxybutyl] carbamate

C11H14ClNO3 — CID 174774368

IUPAC[2-(2-chlorophenyl)-3-hydroxybutyl] carbamate
SMILESCC(O)C(COC(N)=O)c1ccccc1Cl
InChIInChI=1S/C11H14ClNO3/c1-7(14)9(6-16-11(13)15)8-4-2-3-5-10(8)12/h2-5,7,9,14H,6H2,1H3,(H2,13,15)
InChIKeyYIVLZFBJTRNIGV-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.90
Rot. Bonds4

About [2-(2-chlorophenyl)-3-hydroxybutyl] carbamate

[2-(2-chlorophenyl)-3-hydroxybutyl] carbamate (PubChem CID 174774368) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-3-hydroxybutyl] carbamate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-3-hydroxybutyl] carbamate
PubChem CID174774368
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name[2-(2-chlorophenyl)-3-hydroxybutyl] carbamate
SMILESCC(O)C(COC(N)=O)c1ccccc1Cl
InChIInChI=1S/C11H14ClNO3/c1-7(14)9(6-16-11(13)15)8-4-2-3-5-10(8)12/h2-5,7,9,14H,6H2,1H3,(H2,13,15)
InChIKeyYIVLZFBJTRNIGV-UHFFFAOYSA-N
XLogP1.90
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-amino-2-(2-chlorophenyl)ethyl] carbamate;hydrochloride
CID 68646285
[(2S)-3-carbamoyloxy-2-(2-chlorophenyl)propyl] acetate
CID 67573538
[(1S,2S)-1-(2-chlorophenyl)-2-hydroxypropyl] carbamate
CID 68641294
[(1R)-1-(2-chlorophenyl)ethyl] carbamate
CID 89448731
[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
CID 59063100
3-(2-chlorophenyl)pentanediamide
CID 13034531
(2S,3R)-2-(2-chlorophenyl)-3-hydroxybutanoic acid
CID 156875772
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
CID 60734098
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
[2-carbamoyloxy-2-(2-chlorophenyl)ethoxy]carbonylazanium
CID 147632611
2-(2-chlorophenyl)-2-fluoroacetamide
CID 115017416
[(3S)-3-(2-chlorophenyl)-5-hydroxy-2-methylpentan-2-yl] carbamate
CID 174774353

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-3-hydroxybutyl] carbamate?
The IUPAC name of [2-(2-chlorophenyl)-3-hydroxybutyl] carbamate (CID 174774368) is [2-(2-chlorophenyl)-3-hydroxybutyl] carbamate.
What is the SMILES notation for [2-(2-chlorophenyl)-3-hydroxybutyl] carbamate?
The canonical SMILES for [2-(2-chlorophenyl)-3-hydroxybutyl] carbamate is CC(O)C(COC(N)=O)c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-3-hydroxybutyl] carbamate?
The InChIKey is YIVLZFBJTRNIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-7(14)9(6-16-11(13)15)8-4-2-3-5-10(8)12/h2-5,7,9,14H,6H2,1H3,(H2,13,15).
What are the key properties of [2-(2-chlorophenyl)-3-hydroxybutyl] carbamate?
[2-(2-chlorophenyl)-3-hydroxybutyl] carbamate has a molecular weight of 243.69 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-3-hydroxybutyl] carbamate is sourced from PubChem (CID 174774368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).