1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea

C16H18N2O2S — CID 8679384

IUPAC1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea
SMILESCNC(=S)N(Cc1ccccc1O)c1ccccc1OC
InChIInChI=1S/C16H18N2O2S/c1-17-16(21)18(11-12-7-3-5-9-14(12)19)13-8-4-6-10-15(13)20-2/h3-10,19H,11H2,1-2H3,(H,17,21)
InChIKeyVTECRCGQTDMWNO-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.91
Rot. Bonds4

About 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea

1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea (PubChem CID 8679384) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea
PubChem CID8679384
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea
SMILESCNC(=S)N(Cc1ccccc1O)c1ccccc1OC
InChIInChI=1S/C16H18N2O2S/c1-17-16(21)18(11-12-7-3-5-9-14(12)19)13-8-4-6-10-15(13)20-2/h3-10,19H,11H2,1-2H3,(H,17,21)
InChIKeyVTECRCGQTDMWNO-UHFFFAOYSA-N
XLogP2.91
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-butyl-1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)thiourea
CID 8679385
1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea
CID 8679383
N-[(2-hydroxyphenyl)methyl]-N-(2-methoxyphenyl)-2-(1-phenylethylideneamino)oxyacetamide
CID 4863454
1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)-3-propylthiourea
CID 18289208
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
3-(4-ethylphenyl)-1-[(2-hydroxyphenyl)methyl]-1-(4-methoxyphenyl)thiourea
CID 8679563
N-ethyl-N-(2-methoxyphenyl)carbamate
CID 57360584
1-(2-cyanoethyl)-3-(2,6-diethylphenyl)-1-(2-methoxyphenyl)thiourea
CID 23821632
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
CID 82978276
1-(2-chlorophenyl)-1-[(2-hydroxyphenyl)methyl]-3-(2-phenylethyl)thiourea
CID 8679366
2-amino-N-benzyl-N-(2-methoxyphenyl)acetamide
CID 39369464
2-(methoxymethyl)phenol;(2-methoxyphenyl)methanol
CID 138113041

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea (CID 8679384) is 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea is CNC(=S)N(Cc1ccccc1O)c1ccccc1OC.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea?
The InChIKey is VTECRCGQTDMWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-17-16(21)18(11-12-7-3-5-9-14(12)19)13-8-4-6-10-15(13)20-2/h3-10,19H,11H2,1-2H3,(H,17,21).
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea?
1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea has a molecular weight of 302.40 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-methylthiourea is sourced from PubChem (CID 8679384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).