[2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol

C13H14OS — CID 19261309

IUPAC[2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol
SMILESCc1ccc(-c2ccc(C)c(CO)c2)s1
InChIInChI=1S/C13H14OS/c1-9-3-5-11(7-12(9)8-14)13-6-4-10(2)15-13/h3-7,14H,8H2,1-2H3
InChIKeyLQNARVOXWLXDPM-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.52
Rot. Bonds2

About [2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol

[2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol (PubChem CID 19261309) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is [2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol
PubChem CID19261309
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name[2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol
SMILESCc1ccc(-c2ccc(C)c(CO)c2)s1
InChIInChI=1S/C13H14OS/c1-9-3-5-11(7-12(9)8-14)13-6-4-10(2)15-13/h3-7,14H,8H2,1-2H3
InChIKeyLQNARVOXWLXDPM-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 [2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol?
The IUPAC name of [2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol (CID 19261309) is [2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol.
What is the SMILES notation for [2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol?
The canonical SMILES for [2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol is Cc1ccc(-c2ccc(C)c(CO)c2)s1.
What is the InChIKey of [2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol?
The InChIKey is LQNARVOXWLXDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c1-9-3-5-11(7-12(9)8-14)13-6-4-10(2)15-13/h3-7,14H,8H2,1-2H3.
What are the key properties of [2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol?
[2-methyl-5-(5-methylthiophen-2-yl)phenyl]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 [2-methyl-5-(5-methylthiophen-2-yl)phenyl]methanol is sourced from PubChem (CID 19261309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).