3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol

C17H15NO3S — CID 136785678

IUPAC3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol
SMILESCOc1cc(O)c(-c2nc(-c3ccccc3)cs2)c(OC)c1
InChIInChI=1S/C17H15NO3S/c1-20-12-8-14(19)16(15(9-12)21-2)17-18-13(10-22-17)11-6-4-3-5-7-11/h3-10,19H,1-2H3
InChIKeySPABOHMTUKPJQC-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.20
Rot. Bonds4

About 3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol

3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol (PubChem CID 136785678) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol.

Molecular Properties

Compound Name3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol
PubChem CID136785678
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol
SMILESCOc1cc(O)c(-c2nc(-c3ccccc3)cs2)c(OC)c1
InChIInChI=1S/C17H15NO3S/c1-20-12-8-14(19)16(15(9-12)21-2)17-18-13(10-22-17)11-6-4-3-5-7-11/h3-10,19H,1-2H3
InChIKeySPABOHMTUKPJQC-UHFFFAOYSA-N
XLogP4.20
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzothiazol-2-yl)-3,5-dimethoxyphenol
CID 136746012
2-(4-methoxyphenyl)-4-phenyl-1,3-thiazole;hydrobromide
CID 171114672
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
4-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,2-diol
CID 170172156
2-(2-methoxy-5-methylphenyl)-4-phenyl-1,3-thiazole
CID 142708637
2-[4,6-bis(2-hydroxy-4,6-dimethoxyphenyl)-1,3,5-triazin-2-yl]-3,5-dimethoxyphenol
CID 136758978
2-chloro-4-phenyl-1,3-thiazole;3-methoxybicyclo[3.1.0]hexa-1(6),2,4-triene
CID 21409028
4-(4-phenyl-1,3-thiazol-2-yl)benzene-1,2-diol
CID 169215045
4-methyl-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 142708641
2-methoxy-5-(2-phenyl-1,3-thiazol-4-yl)benzoic acid
CID 18707150
2-(2,4-dimethoxyphenyl)-3,5-dimethoxyphenol
CID 165177874
4-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 18707352

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol?
The IUPAC name of 3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol (CID 136785678) is 3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol.
What is the SMILES notation for 3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol?
The canonical SMILES for 3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol is COc1cc(O)c(-c2nc(-c3ccccc3)cs2)c(OC)c1.
What is the InChIKey of 3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol?
The InChIKey is SPABOHMTUKPJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-20-12-8-14(19)16(15(9-12)21-2)17-18-13(10-22-17)11-6-4-3-5-7-11/h3-10,19H,1-2H3.
What are the key properties of 3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol?
3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol has a molecular weight of 313.38 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol is sourced from PubChem (CID 136785678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).