1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea

C14H13ClN2O3 — CID 64788507

IUPAC1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClN2O3/c1-20-11-5-2-9(3-6-11)16-14(19)17-10-4-7-13(18)12(15)8-10/h2-8,18H,1H3,(H2,16,17,19)
InChIKeyPXLAOPYLYVDHQT-UHFFFAOYSA-N
MW292.72 g/mol
LogP3.70
Rot. Bonds3

About 1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea

1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea (PubChem CID 64788507) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
PubChem CID64788507
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClN2O3/c1-20-11-5-2-9(3-6-11)16-14(19)17-10-4-7-13(18)12(15)8-10/h2-8,18H,1H3,(H2,16,17,19)
InChIKeyPXLAOPYLYVDHQT-UHFFFAOYSA-N
XLogP3.70
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 82861747
1-(3,4-dichlorophenyl)-3-(2-hydroxy-5-methoxyphenyl)urea
CID 139743679
1,3-bis(4-methoxyphenyl)urea
CID 139045428
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
1-(3-chloro-4-hydroxyphenyl)-3-(3-chloro-4-methylphenyl)urea
CID 64787332
1-(4-hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-3-(4-methoxyphenyl)urea
CID 16659630
methyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 18932212
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
2-amino-N-(3-chloro-4-hydroxyphenyl)-5-methoxybenzamide
CID 107679870
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N'-(3-chloro-4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44998409
1-(2,4-dichloro-7-hydroxynaphthalen-1-yl)-3-(4-methoxyphenyl)urea
CID 91210833

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea (CID 64788507) is 1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)Nc2ccc(O)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea?
The InChIKey is PXLAOPYLYVDHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-20-11-5-2-9(3-6-11)16-14(19)17-10-4-7-13(18)12(15)8-10/h2-8,18H,1H3,(H2,16,17,19).
What are the key properties of 1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea?
1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea has a molecular weight of 292.72 g/mol, XLogP of 3.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-hydroxyphenyl)-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 64788507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).