1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea

C10H14N2O3 — CID 108871109

IUPAC1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea
SMILESCNC(=O)NC(C)Oc1ccc(O)cc1
InChIInChI=1S/C10H14N2O3/c1-7(12-10(14)11-2)15-9-5-3-8(13)4-6-9/h3-7,13H,1-2H3,(H2,11,12,14)
InChIKeyXMMKKMFJKDNTLC-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.05
Rot. Bonds3

About 1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea

1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea (PubChem CID 108871109) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea
PubChem CID108871109
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea
SMILESCNC(=O)NC(C)Oc1ccc(O)cc1
InChIInChI=1S/C10H14N2O3/c1-7(12-10(14)11-2)15-9-5-3-8(13)4-6-9/h3-7,13H,1-2H3,(H2,11,12,14)
InChIKeyXMMKKMFJKDNTLC-UHFFFAOYSA-N
XLogP1.05
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[1-(4-hydroxyphenoxy)ethyl]-3-(2-hydroxypropyl)urea
CID 108871066
1-(2-chlorophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108870935
tert-butyl N-[2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]ethyl]carbamate
CID 108871280
1-(3-bromophenyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871145
1-(5-bromo-2-pyridinyl)-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871265
methyl 4-[[1-(4-hydroxyphenoxy)ethylcarbamoylamino]methyl]benzoate
CID 108871239
1-[2-(2-chlorophenyl)ethyl]-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871252
1,1-dibutyl-3-[1-(4-hydroxyphenoxy)ethyl]urea
CID 108871094
1-[1-(4-hydroxyphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108871039
1-[1-(4-hydroxyphenoxy)ethyl]-3-(1H-indazol-6-yl)urea
CID 108871152
butyl 2-[1-(4-hydroxyphenoxy)ethylcarbamoylamino]benzoate
CID 108871020

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea?
The IUPAC name of 1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea (CID 108871109) is 1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea.
What is the SMILES notation for 1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea?
The canonical SMILES for 1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea is CNC(=O)NC(C)Oc1ccc(O)cc1.
What is the InChIKey of 1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea?
The InChIKey is XMMKKMFJKDNTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(12-10(14)11-2)15-9-5-3-8(13)4-6-9/h3-7,13H,1-2H3,(H2,11,12,14).
What are the key properties of 1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea?
1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea has a molecular weight of 210.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxyphenoxy)ethyl]-3-methylurea is sourced from PubChem (CID 108871109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).