1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea

C15H15ClN2O3 — CID 69009134

IUPAC1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cc(Cl)cc(CCO)c1O
InChIInChI=1S/C15H15ClN2O3/c16-11-8-10(6-7-19)14(20)13(9-11)18-15(21)17-12-4-2-1-3-5-12/h1-5,8-9,19-20H,6-7H2,(H2,17,18,21)
InChIKeyAAYIZALKOFWEEG-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.22
Rot. Bonds4

About 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea

1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea (PubChem CID 69009134) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea
PubChem CID69009134
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cc(Cl)cc(CCO)c1O
InChIInChI=1S/C15H15ClN2O3/c16-11-8-10(6-7-19)14(20)13(9-11)18-15(21)17-12-4-2-1-3-5-12/h1-5,8-9,19-20H,6-7H2,(H2,17,18,21)
InChIKeyAAYIZALKOFWEEG-UHFFFAOYSA-N
XLogP3.22
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea?
The IUPAC name of 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea (CID 69009134) is 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea.
What is the SMILES notation for 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea?
The canonical SMILES for 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1cc(Cl)cc(CCO)c1O.
What is the InChIKey of 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea?
The InChIKey is AAYIZALKOFWEEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-11-8-10(6-7-19)14(20)13(9-11)18-15(21)17-12-4-2-1-3-5-12/h1-5,8-9,19-20H,6-7H2,(H2,17,18,21).
What are the key properties of 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea?
1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea has a molecular weight of 306.75 g/mol, XLogP of 3.22, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-hydroxy-3-(2-hydroxyethyl)phenyl]-3-phenylurea is sourced from PubChem (CID 69009134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).