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

C10H12ClNO4 — CID 2724

💊View drug profile → chlorphenesin carbamate
IUPAC[3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate
SMILESNC(=O)OCC(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)
InChIKeySKPLBLUECSEIFO-UHFFFAOYSA-N
MW245.66 g/mol
LogP1.17
Rot. Bonds5

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

[3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate (PubChem CID 2724) has the molecular formula C10H12ClNO4 and a molecular weight of 245.66 g/mol. Its IUPAC name is [3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate.

Molecular Properties

Compound Name[3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate
PubChem CID2724
Molecular FormulaC10H12ClNO4
Molecular Weight245.66 g/mol
Exact Mass245.05
IUPAC Name[3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate
SMILESNC(=O)OCC(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)
InChIKeySKPLBLUECSEIFO-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate?
The IUPAC name of [3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate (CID 2724) is [3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate.
What is the SMILES notation for [3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate?
The canonical SMILES for [3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate is NC(=O)OCC(O)COc1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate?
The InChIKey is SKPLBLUECSEIFO-UHFFFAOYSA-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).
What are the key properties of [3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate?
[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 [3-(4-chlorophenoxy)-2-hydroxypropyl] carbamate is sourced from PubChem (CID 2724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).