1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea

C15H15ClN2O3 — CID 108887027

IUPAC1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea
SMILESO=C(NCCOc1ccccc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C15H15ClN2O3/c16-11-6-7-14(19)13(10-11)18-15(20)17-8-9-21-12-4-2-1-3-5-12/h1-7,10,19H,8-9H2,(H2,17,18,20)
InChIKeyCHHQZUUSMQJOKQ-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.25
Rot. Bonds5

About 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea

1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea (PubChem CID 108887027) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea
PubChem CID108887027
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea
SMILESO=C(NCCOc1ccccc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C15H15ClN2O3/c16-11-6-7-14(19)13(10-11)18-15(20)17-8-9-21-12-4-2-1-3-5-12/h1-7,10,19H,8-9H2,(H2,17,18,20)
InChIKeyCHHQZUUSMQJOKQ-UHFFFAOYSA-N
XLogP3.25
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-hydroxyphenyl)-3-[3-(2-methylphenoxy)propyl]urea
CID 108883820
1-[2-(4-chlorophenoxy)ethyl]-3-(2-chlorophenyl)urea
CID 112970952
1-[2-(3-bromophenoxy)ethyl]-3-(5-chloro-2-methylphenyl)urea
CID 112971220
1-(2,5-dichlorophenyl)-3-[2-(3-methoxyphenoxy)ethyl]urea
CID 112971615
1-(2-chloro-4-methoxyphenyl)-3-(2-phenoxyethyl)urea
CID 86862844
1-(5-chloro-2-hydroxyphenyl)-3-[2-(3-methoxyphenyl)ethyl]urea
CID 108900950
1-(2,5-dichlorophenyl)-3-[2-(3,4-difluorophenoxy)ethyl]urea
CID 112976444
1-(4-chloro-2-methylphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969960
1-(5-chloro-2-methoxyphenyl)-3-[2-(3-methylphenoxy)ethyl]urea
CID 112969963
1-[2-(3-chlorophenoxy)ethyl]-3-(2-cyanophenyl)urea
CID 112970884
1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea
CID 86987075
1-(5-chloro-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883302

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea (CID 108887027) is 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea is O=C(NCCOc1ccccc1)Nc1cc(Cl)ccc1O.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea?
The InChIKey is CHHQZUUSMQJOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-11-6-7-14(19)13(10-11)18-15(20)17-8-9-21-12-4-2-1-3-5-12/h1-7,10,19H,8-9H2,(H2,17,18,20).
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea?
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea has a molecular weight of 306.75 g/mol, XLogP of 3.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 108887027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).