1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea

C18H20N2O2S — CID 8679383

IUPAC1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)N(Cc1ccccc1O)c1ccccc1OC
InChIInChI=1S/C18H20N2O2S/c1-3-12-19-18(23)20(13-14-8-4-6-10-16(14)21)15-9-5-7-11-17(15)22-2/h3-11,21H,1,12-13H2,2H3,(H,19,23)
InChIKeyDHFRTSPIARCBQC-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.47
Rot. Bonds6

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

1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea (PubChem CID 8679383) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea
PubChem CID8679383
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC Name1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea
SMILESC=CCNC(=S)N(Cc1ccccc1O)c1ccccc1OC
InChIInChI=1S/C18H20N2O2S/c1-3-12-19-18(23)20(13-14-8-4-6-10-16(14)21)15-9-5-7-11-17(15)22-2/h3-11,21H,1,12-13H2,2H3,(H,19,23)
InChIKeyDHFRTSPIARCBQC-UHFFFAOYSA-N
XLogP3.47
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-Benzyl-3-(2-ethoxy-phenyl)-thiourea
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1-Benzyl-3-(2-methoxyphenyl)thiourea
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1,1-Dibenzyl-3-(2-methoxyphenyl)urea
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1-(2-Methoxy-phenyl)-4-p-tolyl-1,3-dihydro-imidazole-2-thione
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1-(2-methoxyphenyl)-4-phenyl-1,3-dihydro-2H-imidazole-2-thione
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CID 971614

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea (CID 8679383) is 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea is C=CCNC(=S)N(Cc1ccccc1O)c1ccccc1OC.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea?
The InChIKey is DHFRTSPIARCBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-3-12-19-18(23)20(13-14-8-4-6-10-16(14)21)15-9-5-7-11-17(15)22-2/h3-11,21H,1,12-13H2,2H3,(H,19,23).
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea?
1-[(2-hydroxyphenyl)methyl]-1-(2-methoxyphenyl)-3-prop-2-enylthiourea has a molecular weight of 328.44 g/mol, XLogP of 3.47, 6 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-prop-2-enylthiourea is sourced from PubChem (CID 8679383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).