[5-(2,5-dimethylphenyl)thiophen-2-yl]methanol

C13H14OS — CID 82079376

IUPAC[5-(2,5-dimethylphenyl)thiophen-2-yl]methanol
SMILESCc1ccc(C)c(-c2ccc(CO)s2)c1
InChIInChI=1S/C13H14OS/c1-9-3-4-10(2)12(7-9)13-6-5-11(8-14)15-13/h3-7,14H,8H2,1-2H3
InChIKeyPZVYBNUEBVZQKM-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.52
Rot. Bonds2

About [5-(2,5-dimethylphenyl)thiophen-2-yl]methanol

[5-(2,5-dimethylphenyl)thiophen-2-yl]methanol (PubChem CID 82079376) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is [5-(2,5-dimethylphenyl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(2,5-dimethylphenyl)thiophen-2-yl]methanol
PubChem CID82079376
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name[5-(2,5-dimethylphenyl)thiophen-2-yl]methanol
SMILESCc1ccc(C)c(-c2ccc(CO)s2)c1
InChIInChI=1S/C13H14OS/c1-9-3-4-10(2)12(7-9)13-6-5-11(8-14)15-13/h3-7,14H,8H2,1-2H3
InChIKeyPZVYBNUEBVZQKM-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2,5-dimethylphenyl)thiophen-2-yl]methanol?
The IUPAC name of [5-(2,5-dimethylphenyl)thiophen-2-yl]methanol (CID 82079376) is [5-(2,5-dimethylphenyl)thiophen-2-yl]methanol.
What is the SMILES notation for [5-(2,5-dimethylphenyl)thiophen-2-yl]methanol?
The canonical SMILES for [5-(2,5-dimethylphenyl)thiophen-2-yl]methanol is Cc1ccc(C)c(-c2ccc(CO)s2)c1.
What is the InChIKey of [5-(2,5-dimethylphenyl)thiophen-2-yl]methanol?
The InChIKey is PZVYBNUEBVZQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c1-9-3-4-10(2)12(7-9)13-6-5-11(8-14)15-13/h3-7,14H,8H2,1-2H3.
What are the key properties of [5-(2,5-dimethylphenyl)thiophen-2-yl]methanol?
[5-(2,5-dimethylphenyl)thiophen-2-yl]methanol has a molecular weight of 218.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,5-dimethylphenyl)thiophen-2-yl]methanol is sourced from PubChem (CID 82079376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).