1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea

C15H16N2OS — CID 127075804

IUPAC1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea
SMILESCCc1ccc(NC(=S)Nc2ccccc2O)cc1
InChIInChI=1S/C15H16N2OS/c1-2-11-7-9-12(10-8-11)16-15(19)17-13-5-3-4-6-14(13)18/h3-10,18H,2H2,1H3,(H2,16,17,19)
InChIKeyBDCJPXIBNBTVBO-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.76
Rot. Bonds3

About 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea

1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea (PubChem CID 127075804) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea
PubChem CID127075804
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea
SMILESCCc1ccc(NC(=S)Nc2ccccc2O)cc1
InChIInChI=1S/C15H16N2OS/c1-2-11-7-9-12(10-8-11)16-15(19)17-13-5-3-4-6-14(13)18/h3-10,18H,2H2,1H3,(H2,16,17,19)
InChIKeyBDCJPXIBNBTVBO-UHFFFAOYSA-N
XLogP3.76
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylphenyl)-3-(5-hydroxynaphthalen-1-yl)thiourea
CID 23762652
1-(4-ethylphenyl)-3-(4-hydroxyphenyl)thiourea
CID 23913156
1-(2-hydroxyphenyl)-3-propylthiourea
CID 127057453
2-[2-(4-ethylanilino)ethylamino]phenol
CID 151020597
1,3-bis(2-ethylphenyl)thiourea
CID 3034485
1-(4-ethylphenyl)-3-[(3-hydroxynaphthalene-2-carbonyl)amino]thiourea
CID 7988148
1-(4-ethylphenyl)-3-[(4-methylphenyl)methyl]thiourea
CID 8659235
1-(4-ethylphenyl)-3-[(2R)-2-hydroxypropyl]thiourea
CID 8615053
1-butan-2-yl-3-(4-ethylphenyl)thiourea
CID 19652039
1-(4-ethylphenyl)-3-(2-phenoxyethyl)thiourea
CID 8684445
1-(4-ethylphenyl)-3-[[4-(phenylmethoxymethyl)phenyl]methyl]thiourea
CID 43077073
1-[(E)-(4-ethylphenyl)methylideneamino]-3-phenylthiourea
CID 7264044

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea?
The IUPAC name of 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea (CID 127075804) is 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea?
The canonical SMILES for 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea is CCc1ccc(NC(=S)Nc2ccccc2O)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea?
The InChIKey is BDCJPXIBNBTVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-2-11-7-9-12(10-8-11)16-15(19)17-13-5-3-4-6-14(13)18/h3-10,18H,2H2,1H3,(H2,16,17,19).
What are the key properties of 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea?
1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea has a molecular weight of 272.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-(2-hydroxyphenyl)thiourea is sourced from PubChem (CID 127075804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).