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

C10H13ClN2O3 — CID 14685227

IUPAC[3-(4-chlorophenoxy)-2-hydroxypropyl]urea
SMILESNC(=O)NCC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O3/c11-7-1-3-9(4-2-7)16-6-8(14)5-13-10(12)15/h1-4,8,14H,5-6H2,(H3,12,13,15)
InChIKeyHETOURUQJKIMQQ-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.75
Rot. Bonds5

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

[3-(4-chlorophenoxy)-2-hydroxypropyl]urea (PubChem CID 14685227) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is [3-(4-chlorophenoxy)-2-hydroxypropyl]urea.

Molecular Properties

Compound Name[3-(4-chlorophenoxy)-2-hydroxypropyl]urea
PubChem CID14685227
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name[3-(4-chlorophenoxy)-2-hydroxypropyl]urea
SMILESNC(=O)NCC(O)COc1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O3/c11-7-1-3-9(4-2-7)16-6-8(14)5-13-10(12)15/h1-4,8,14H,5-6H2,(H3,12,13,15)
InChIKeyHETOURUQJKIMQQ-UHFFFAOYSA-N
XLogP0.75
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Related Compounds

2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938620
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propane-1,3-diol
CID 65314255
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone
CID 70524382
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
CID 11255678
2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66177064
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
4-chloro-N-(2-hydroxy-3-phenoxypropyl)benzenesulfonamide
CID 166232814
N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide
CID 99928759
methyl 3-(4-chlorophenoxy)-2-methylpropanoate
CID 43537622

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenoxy)-2-hydroxypropyl]urea?
The IUPAC name of [3-(4-chlorophenoxy)-2-hydroxypropyl]urea (CID 14685227) is [3-(4-chlorophenoxy)-2-hydroxypropyl]urea.
What is the SMILES notation for [3-(4-chlorophenoxy)-2-hydroxypropyl]urea?
The canonical SMILES for [3-(4-chlorophenoxy)-2-hydroxypropyl]urea is NC(=O)NCC(O)COc1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenoxy)-2-hydroxypropyl]urea?
The InChIKey is HETOURUQJKIMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3/c11-7-1-3-9(4-2-7)16-6-8(14)5-13-10(12)15/h1-4,8,14H,5-6H2,(H3,12,13,15).
What are the key properties of [3-(4-chlorophenoxy)-2-hydroxypropyl]urea?
[3-(4-chlorophenoxy)-2-hydroxypropyl]urea has a molecular weight of 244.68 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenoxy)-2-hydroxypropyl]urea is sourced from PubChem (CID 14685227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).