1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea

C19H24N2O2S — CID 175558413

IUPAC1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea
SMILESCCC(NC(=S)NCc1ccc(O)c(OC)c1)c1ccc(C)cc1
InChIInChI=1S/C19H24N2O2S/c1-4-16(15-8-5-13(2)6-9-15)21-19(24)20-12-14-7-10-17(22)18(11-14)23-3/h5-11,16,22H,4,12H2,1-3H3,(H2,20,21,24)
InChIKeyJMVHBEKMXIPJFG-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.82
Rot. Bonds6

About 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea

1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea (PubChem CID 175558413) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea.

Molecular Properties

Compound Name1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea
PubChem CID175558413
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea
SMILESCCC(NC(=S)NCc1ccc(O)c(OC)c1)c1ccc(C)cc1
InChIInChI=1S/C19H24N2O2S/c1-4-16(15-8-5-13(2)6-9-15)21-19(24)20-12-14-7-10-17(22)18(11-14)23-3/h5-11,16,22H,4,12H2,1-3H3,(H2,20,21,24)
InChIKeyJMVHBEKMXIPJFG-UHFFFAOYSA-N
XLogP3.82
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675428
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
CID 83320633
1-benzyl-3-(1-phenylpropyl)thiourea
CID 19675340
1-ethyl-3-[(1S)-1-(4-methoxyphenyl)propyl]thiourea
CID 9218078
1-(3-methoxy-2-pyridinyl)-3-[(1R)-1-(4-methylphenyl)propyl]thiourea
CID 100651701
1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-3-(4-methylphenyl)thiourea
CID 100667952
1-(3,5-dimethylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675396
[3-(3,4-dimethylphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate
CID 10115388
2-bromo-4-[[1-(4-methylphenyl)propylamino]methyl]phenol
CID 60657857
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-3-(2,5-dimethylphenyl)thiourea
CID 100733459

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea?
The IUPAC name of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea (CID 175558413) is 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea.
What is the SMILES notation for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea?
The canonical SMILES for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea is CCC(NC(=S)NCc1ccc(O)c(OC)c1)c1ccc(C)cc1.
What is the InChIKey of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea?
The InChIKey is JMVHBEKMXIPJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-4-16(15-8-5-13(2)6-9-15)21-19(24)20-12-14-7-10-17(22)18(11-14)23-3/h5-11,16,22H,4,12H2,1-3H3,(H2,20,21,24).
What are the key properties of 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea?
1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea has a molecular weight of 344.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[1-(4-methylphenyl)propyl]thiourea is sourced from PubChem (CID 175558413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).