[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate

C10H12ClNO4 — CID 6604286

IUPAC[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate
SMILESNC(=O)OC[C@H](O)COc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)/t8-/m1/s1
InChIKeySKPLBLUECSEIFO-MRVPVSSYSA-N
MW245.66 g/mol
LogP1.17
Rot. Bonds5

About [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate

[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate (PubChem CID 6604286) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate.

Molecular Properties

Compound Name[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate
PubChem CID6604286
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate
SMILESNC(=O)OC[C@H](O)COc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)/t8-/m1/s1
InChIKeySKPLBLUECSEIFO-MRVPVSSYSA-N
XLogP1.17
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.66
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate?
The IUPAC name of [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate (CID 6604286) is [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate.
What is the SMILES notation for [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate?
The canonical SMILES for [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate is NC(=O)OC[C@H](O)COc1ccc(Cl)cc1.
What is the InChIKey of [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate?
The InChIKey is SKPLBLUECSEIFO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)/t8-/m1/s1.
What are the key properties of [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate?
[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate has a molecular weight of 245.66 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate is sourced from PubChem (CID 6604286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).