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

C20H20O2S — CID 11088638

IUPAC[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(C(O)c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C20H20O2S/c1-13-3-7-15(8-4-13)19(21)17-11-12-18(23-17)20(22)16-9-5-14(2)6-10-16/h3-12,19-22H,1-2H3
InChIKeyYBPVRSYDDBAZHX-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.53
Rot. Bonds4

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

[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-(4-methylphenyl)methanol (PubChem CID 11088638) has the molecular formula C20H20O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is [5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-(4-methylphenyl)methanol.

Molecular Properties

Compound Name[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-(4-methylphenyl)methanol
PubChem CID11088638
Molecular FormulaC20H20O2S
Molecular Weight324.45 g/mol
Exact Mass324.12
IUPAC Name[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2ccc(C(O)c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C20H20O2S/c1-13-3-7-15(8-4-13)19(21)17-11-12-18(23-17)20(22)16-9-5-14(2)6-10-16/h3-12,19-22H,1-2H3
InChIKeyYBPVRSYDDBAZHX-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-(4-methylphenyl)methanol?
The IUPAC name of [5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-(4-methylphenyl)methanol (CID 11088638) is [5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-(4-methylphenyl)methanol.
What is the SMILES notation for [5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-(4-methylphenyl)methanol?
The canonical SMILES for [5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-(4-methylphenyl)methanol is Cc1ccc(C(O)c2ccc(C(O)c3ccc(C)cc3)s2)cc1.
What is the InChIKey of [5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-(4-methylphenyl)methanol?
The InChIKey is YBPVRSYDDBAZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2S/c1-13-3-7-15(8-4-13)19(21)17-11-12-18(23-17)20(22)16-9-5-14(2)6-10-16/h3-12,19-22H,1-2H3.
What are the key properties of [5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-(4-methylphenyl)methanol?
[5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-(4-methylphenyl)methanol has a molecular weight of 324.45 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[hydroxy-(4-methylphenyl)methyl]thiophen-2-yl]-(4-methylphenyl)methanol is sourced from PubChem (CID 11088638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).