1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea

C14H14N2O2S — CID 2803091

IUPAC1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)Nc2ccc(O)cc2)c1
InChIInChI=1S/C14H14N2O2S/c1-18-13-4-2-3-11(9-13)16-14(19)15-10-5-7-12(17)8-6-10/h2-9,17H,1H3,(H2,15,16,19)
InChIKeyQMAJUXRVBPSIHG-UHFFFAOYSA-N
MW274.35 g/mol
LogP3.21
Rot. Bonds3

About 1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea

1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea (PubChem CID 2803091) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea
PubChem CID2803091
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea
SMILESCOc1cccc(NC(=S)Nc2ccc(O)cc2)c1
InChIInChI=1S/C14H14N2O2S/c1-18-13-4-2-3-11(9-13)16-14(19)15-10-5-7-12(17)8-6-10/h2-9,17H,1H3,(H2,15,16,19)
InChIKeyQMAJUXRVBPSIHG-UHFFFAOYSA-N
XLogP3.21
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Etocarlide
CID 667483
5-Methoxy-2-mercaptobenzimidazole
CID 665603
N-(4-Methoxyphenyl)-N'-phenylthiourea
CID 686507
1-(2,5-Dimethoxyphenyl)-3-phenyl-2-thiourea
CID 730557
4-Thioureidoanisole
CID 667549
N-(3-Hydroxyphenyl)-N'-phenylthiourea
CID 853760
N-(4-Hydroxyphenyl)-N'-phenylthiourea
CID 703638
3-Ureidoanisole
CID 101483
1,3-Bis(4-methoxyphenyl)thiourea
CID 706970
1-Benzyl-3-(3-methoxyphenyl)thiourea
CID 698354
N-(3-methoxyphenyl)-4-methylpiperazine-1-carbothioamide
CID 805407
(3-Methoxyphenyl)thiourea
CID 696326

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea?
The IUPAC name of 1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea (CID 2803091) is 1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea is COc1cccc(NC(=S)Nc2ccc(O)cc2)c1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea?
The InChIKey is QMAJUXRVBPSIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-18-13-4-2-3-11(9-13)16-14(19)15-10-5-7-12(17)8-6-10/h2-9,17H,1H3,(H2,15,16,19).
What are the key properties of 1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea?
1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea has a molecular weight of 274.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-(3-methoxyphenyl)thiourea is sourced from PubChem (CID 2803091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).