1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea

C15H16FN2OPS — CID 142879634

IUPAC1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea
SMILESCc1ccccc1CNC(=S)Nc1cc(F)c(O)c(P)c1
InChIInChI=1S/C15H16FN2OPS/c1-9-4-2-3-5-10(9)8-17-15(21)18-11-6-12(16)14(19)13(20)7-11/h2-7,19H,8,20H2,1H3,(H2,17,18,21)
InChIKeyFHBHFBUPCQIOBN-UHFFFAOYSA-N
MW322.35 g/mol
LogP2.83
Rot. Bonds3

About 1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea

1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea (PubChem CID 142879634) has the molecular formula C15H16FN2OPS and a molecular weight of 322.35 g/mol. Its IUPAC name is 1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea.

Molecular Properties

Compound Name1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea
PubChem CID142879634
Molecular FormulaC15H16FN2OPS
Molecular Weight322.35 g/mol
Exact Mass322.07
IUPAC Name1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea
SMILESCc1ccccc1CNC(=S)Nc1cc(F)c(O)c(P)c1
InChIInChI=1S/C15H16FN2OPS/c1-9-4-2-3-5-10(9)8-17-15(21)18-11-6-12(16)14(19)13(20)7-11/h2-7,19H,8,20H2,1H3,(H2,17,18,21)
InChIKeyFHBHFBUPCQIOBN-UHFFFAOYSA-N
XLogP2.83
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-difluoro-2-hydroxyphenyl)-3-[(2-methylphenyl)methyl]thiourea
CID 87656405
1-benzyl-3-(3,5-difluoro-4-hydroxyphenyl)thiourea
CID 87654545
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(3-fluoro-4-methylphenyl)thiourea
CID 8560143
1-(2,4-dimethylphenyl)-3-[(2-methylphenyl)methyl]thiourea
CID 92766117
1-[(2-methylphenyl)methyl]-3-(4-propan-2-yloxyphenyl)thiourea
CID 100590551
1-(3,5-difluoro-4-hydroxyphenyl)-3-(2-phenylethyl)thiourea
CID 87655378
1-[(4-chloro-2-methylphenyl)methyl]-3-(3,4-dimethylphenyl)thiourea
CID 4665239
1-[(4-chloro-2-methylphenyl)methyl]-3-(3-chlorophenyl)thiourea
CID 3859229
1-[[2-(diethylaminomethyl)phenyl]methyl]-3-(3,5-dimethylphenyl)thiourea
CID 8560093
1-ethyl-3-(4-fluoro-3-methylphenyl)thiourea
CID 115610649
(2-methylphenyl)methylthiourea
CID 18399980
1-(3-chloro-4-fluorophenyl)-3-[(2-fluorophenyl)methyl]thiourea
CID 8749644

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea?
The IUPAC name of 1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea (CID 142879634) is 1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea.
What is the SMILES notation for 1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea?
The canonical SMILES for 1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea is Cc1ccccc1CNC(=S)Nc1cc(F)c(O)c(P)c1.
What is the InChIKey of 1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea?
The InChIKey is FHBHFBUPCQIOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN2OPS/c1-9-4-2-3-5-10(9)8-17-15(21)18-11-6-12(16)14(19)13(20)7-11/h2-7,19H,8,20H2,1H3,(H2,17,18,21).
What are the key properties of 1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea?
1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea has a molecular weight of 322.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-hydroxy-5-phosphanylphenyl)-3-[(2-methylphenyl)methyl]thiourea is sourced from PubChem (CID 142879634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).