1-(2-hydroxy-5-methylphenyl)-3-phenylurea

C14H14N2O2 — CID 4130676

IUPAC1-(2-hydroxy-5-methylphenyl)-3-phenylurea
SMILESCc1ccc(O)c(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H14N2O2/c1-10-7-8-13(17)12(9-10)16-14(18)15-11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,15,16,18)
InChIKeyDINVTANMWPOOQQ-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.34
Rot. Bonds2

About 1-(2-hydroxy-5-methylphenyl)-3-phenylurea

1-(2-hydroxy-5-methylphenyl)-3-phenylurea (PubChem CID 4130676) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-hydroxy-5-methylphenyl)-3-phenylurea
PubChem CID4130676
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-(2-hydroxy-5-methylphenyl)-3-phenylurea
SMILESCc1ccc(O)c(NC(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H14N2O2/c1-10-7-8-13(17)12(9-10)16-14(18)15-11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,15,16,18)
InChIKeyDINVTANMWPOOQQ-UHFFFAOYSA-N
XLogP3.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.34
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

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NS-1643
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N-(4-Hydroxybiphenyl-3-yl)acetamide
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1-(4-Cyano-2-hydroxyphenyl)-3-phenylurea
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1-Adamantan-1-yl-3-(2-hydroxy-phenyl)-urea
CID 22932333
1-(3-Cyano-2-hydroxyphenyl)-3-phenylurea
CID 44439692
1-Benzoyl-3-(2-hydroxy-phenyl)-urea
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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methylphenyl)-3-phenylurea?
The IUPAC name of 1-(2-hydroxy-5-methylphenyl)-3-phenylurea (CID 4130676) is 1-(2-hydroxy-5-methylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(2-hydroxy-5-methylphenyl)-3-phenylurea?
The canonical SMILES for 1-(2-hydroxy-5-methylphenyl)-3-phenylurea is Cc1ccc(O)c(NC(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-(2-hydroxy-5-methylphenyl)-3-phenylurea?
The InChIKey is DINVTANMWPOOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-10-7-8-13(17)12(9-10)16-14(18)15-11-5-3-2-4-6-11/h2-9,17H,1H3,(H2,15,16,18).
What are the key properties of 1-(2-hydroxy-5-methylphenyl)-3-phenylurea?
1-(2-hydroxy-5-methylphenyl)-3-phenylurea has a molecular weight of 242.28 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methylphenyl)-3-phenylurea is sourced from PubChem (CID 4130676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).