(2-methyl-4-phenylmethoxyphenyl)thiourea

C15H16N2OS — CID 5277330

IUPAC(2-methyl-4-phenylmethoxyphenyl)thiourea
SMILESCc1cc(OCc2ccccc2)ccc1NC(N)=S
InChIInChI=1S/C15H16N2OS/c1-11-9-13(7-8-14(11)17-15(16)19)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H3,16,17,19)
InChIKeyZXVDDLLHABMEPE-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.23
Rot. Bonds4

About (2-methyl-4-phenylmethoxyphenyl)thiourea

(2-methyl-4-phenylmethoxyphenyl)thiourea (PubChem CID 5277330) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is (2-methyl-4-phenylmethoxyphenyl)thiourea.

Molecular Properties

Compound Name(2-methyl-4-phenylmethoxyphenyl)thiourea
PubChem CID5277330
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name(2-methyl-4-phenylmethoxyphenyl)thiourea
SMILESCc1cc(OCc2ccccc2)ccc1NC(N)=S
InChIInChI=1S/C15H16N2OS/c1-11-9-13(7-8-14(11)17-15(16)19)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H3,16,17,19)
InChIKeyZXVDDLLHABMEPE-UHFFFAOYSA-N
XLogP3.23
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-methyl-4-phenylmethoxyphenyl)thiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-phenylmethoxyphenyl)thiourea?
The IUPAC name of (2-methyl-4-phenylmethoxyphenyl)thiourea (CID 5277330) is (2-methyl-4-phenylmethoxyphenyl)thiourea.
What is the SMILES notation for (2-methyl-4-phenylmethoxyphenyl)thiourea?
The canonical SMILES for (2-methyl-4-phenylmethoxyphenyl)thiourea is Cc1cc(OCc2ccccc2)ccc1NC(N)=S.
What is the InChIKey of (2-methyl-4-phenylmethoxyphenyl)thiourea?
The InChIKey is ZXVDDLLHABMEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-9-13(7-8-14(11)17-15(16)19)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H3,16,17,19).
What are the key properties of (2-methyl-4-phenylmethoxyphenyl)thiourea?
(2-methyl-4-phenylmethoxyphenyl)thiourea has a molecular weight of 272.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-phenylmethoxyphenyl)thiourea is sourced from PubChem (CID 5277330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).