1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol

C20H20O2S — CID 101420087

IUPAC1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol
SMILESCc1ccc(C(O)c2ccc(C(C)(O)c3ccccc3)s2)cc1
InChIInChI=1S/C20H20O2S/c1-14-8-10-15(11-9-14)19(21)17-12-13-18(23-17)20(2,22)16-6-4-3-5-7-16/h3-13,19,21-22H,1-2H3
InChIKeyCFIXIBQQXSGTKQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.39
Rot. Bonds4

About 1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol

1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol (PubChem CID 101420087) has the molecular formula C20H20O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is 1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol
PubChem CID101420087
Molecular FormulaC20H20O2S
Molecular Weight324.45 g/mol
Exact Mass324.12
IUPAC Name1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol
SMILESCc1ccc(C(O)c2ccc(C(C)(O)c3ccccc3)s2)cc1
InChIInChI=1S/C20H20O2S/c1-14-8-10-15(11-9-14)19(21)17-12-13-18(23-17)20(2,22)16-6-4-3-5-7-16/h3-13,19,21-22H,1-2H3
InChIKeyCFIXIBQQXSGTKQ-UHFFFAOYSA-N
XLogP4.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5-tert-butylthiophen-2-yl)-(5-methyl-3-pyridinyl)methanol
CID 113297017
(1R)-1-phenyl-1-thiophen-2-ylethanol
CID 674763
[10-[hydroxy-(4-methylphenyl)methyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-(4-methylphenyl)methanol
CID 102044925
(4-methylphenyl)-[4-(4-methylphenyl)phenyl]methanol
CID 143325793
(3-bromo-4-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol
CID 107991317
(3-bromo-5-chlorophenyl)-(5-tert-butylthiophen-2-yl)methanol
CID 107955729
2-methyl-1-(4-methylphenyl)propane-1,2-diol
CID 10535384
(5-bromo-4-methylthiophen-2-yl)-(4-phenylphenyl)methanol
CID 79998991
(S)-(4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 822066
(4-methylphenyl)-[3-(trifluoromethyl)phenyl]methanol
CID 60799413
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259
bis(4-methylphenyl)methanol;cyclopropyl(diphenyl)methanol;1,1-diphenylethanol;diphenyl(pyridin-4-yl)methanol;(2-methylphenyl)-phenylmethanol;(4-methylphenyl)-phenylmethanol
CID 161390678

Frequently Asked Questions

What is the IUPAC name of 1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol?
The IUPAC name of 1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol (CID 101420087) is 1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol.
What is the SMILES notation for 1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol?
The canonical SMILES for 1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol is Cc1ccc(C(O)c2ccc(C(C)(O)c3ccccc3)s2)cc1.
What is the InChIKey of 1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol?
The InChIKey is CFIXIBQQXSGTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2S/c1-14-8-10-15(11-9-14)19(21)17-12-13-18(23-17)20(2,22)16-6-4-3-5-7-16/h3-13,19,21-22H,1-2H3.
What are the key properties of 1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol?
1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol has a molecular weight of 324.45 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-1-phenylethanol is sourced from PubChem (CID 101420087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).