1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea

C12H18N2O4 — CID 108871066

IUPAC1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NC(C)Oc1ccc(O)cc1
InChIInChI=1S/C12H18N2O4/c1-8(15)7-13-12(17)14-9(2)18-11-5-3-10(16)4-6-11/h3-6,8-9,15-16H,7H2,1-2H3,(H2,13,14,17)
InChIKeyBJKXCOIZIRPGDW-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.80
Rot. Bonds5

About 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea

1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea (PubChem CID 108871066) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea
PubChem CID108871066
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NC(C)Oc1ccc(O)cc1
InChIInChI=1S/C12H18N2O4/c1-8(15)7-13-12(17)14-9(2)18-11-5-3-10(16)4-6-11/h3-6,8-9,15-16H,7H2,1-2H3,(H2,13,14,17)
InChIKeyBJKXCOIZIRPGDW-UHFFFAOYSA-N
XLogP0.80
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-methylpropyl)urea
CID 108870958
1-(2-hydroxypropyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880606
1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea
CID 108871109
methyl 4-[[1-(4-hydroxyphenoxy)ethylcarbamoylamino]methyl]benzoate
CID 108871239
tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate
CID 108871280
1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871252
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108871039
4-[1-(2-hydroxypropylamino)propan-2-yloxy]phenol
CID 70558052
1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108870935
1-(3-methylbutyl)-3-[1-(4-propan-2-ylphenoxy)ethyl]urea
CID 108880750
1-[1-(4-chlorophenoxy)ethyl]-3-[3-(dimethylamino)propyl]urea
CID 108879890
1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871145

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea (CID 108871066) is 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea is CC(O)CNC(=O)NC(C)Oc1ccc(O)cc1.
What is the InChIKey of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea?
The InChIKey is BJKXCOIZIRPGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(15)7-13-12(17)14-9(2)18-11-5-3-10(16)4-6-11/h3-6,8-9,15-16H,7H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea?
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea has a molecular weight of 254.29 g/mol, XLogP of 0.80, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 108871066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).