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

C15H13ClN2O2 — CID 174580380

IUPAC1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea
SMILESO=C(NC=Cc1ccccc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C15H13ClN2O2/c16-12-6-7-14(19)13(10-12)18-15(20)17-9-8-11-4-2-1-3-5-11/h1-10,19H,(H2,17,18,20)
InChIKeyVCFAHDADHDIKJK-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.84
Rot. Bonds3

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

1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea (PubChem CID 174580380) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea
PubChem CID174580380
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea
SMILESO=C(NC=Cc1ccccc1)Nc1cc(Cl)ccc1O
InChIInChI=1S/C15H13ClN2O2/c16-12-6-7-14(19)13(10-12)18-15(20)17-9-8-11-4-2-1-3-5-11/h1-10,19H,(H2,17,18,20)
InChIKeyVCFAHDADHDIKJK-UHFFFAOYSA-N
XLogP3.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(E)-2-phenylethenyl]urea
CID 108903352
1-(2-hydroxy-5-methylphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907333
1-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyphenyl)urea
CID 108908757
1-(2-hydroxyphenyl)-3-[(E)-2-(3-methylphenyl)ethenyl]urea
CID 108905408
1-(5-chloro-2-methylphenyl)-3-[(E)-2-(4-fluorophenyl)ethenyl]urea
CID 108908002
1-benzhydryl-3-(5-chloro-2-hydroxyphenyl)urea
CID 108867456
1-(5-chloro-2-hydroxyphenyl)-3-(2-sulfanylphenyl)urea
CID 108886378
1-(5-chloro-2-hydroxyphenyl)-3-[(E)-2,3-dimethylbut-1-enyl]urea
CID 108914686
1-(5-chloro-2-methoxyphenyl)-3-[(E)-2-(4-methylphenyl)ethenyl]urea
CID 108907198
1-[(4-chlorobenzoyl)amino]-3-[(E)-2-phenylethenyl]urea
CID 71769328
1-(4-iodo-2-methylphenyl)-3-[(E)-2-phenylethenyl]urea
CID 108903190
1-[(E)-2-(3-chlorophenyl)ethenyl]-3-(2-nitrophenyl)urea
CID 108906423

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea (CID 174580380) is 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea is O=C(NC=Cc1ccccc1)Nc1cc(Cl)ccc1O.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea?
The InChIKey is VCFAHDADHDIKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-12-6-7-14(19)13(10-12)18-15(20)17-9-8-11-4-2-1-3-5-11/h1-10,19H,(H2,17,18,20).
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea?
1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea has a molecular weight of 288.73 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-3-(2-phenylethenyl)urea is sourced from PubChem (CID 174580380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).