(5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol

C15H18OS — CID 65099676

IUPAC(5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2csc(C)c2)c(C)c1
InChIInChI=1S/C15H18OS/c1-9-5-10(2)14(11(3)6-9)15(16)13-7-12(4)17-8-13/h5-8,15-16H,1-4H3
InChIKeyKHXKLIZPEHMRSX-UHFFFAOYSA-N
MW246.38 g/mol
LogP4.06
Rot. Bonds2

About (5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol

(5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol (PubChem CID 65099676) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is (5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Name(5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
PubChem CID65099676
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name(5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2csc(C)c2)c(C)c1
InChIInChI=1S/C15H18OS/c1-9-5-10(2)14(11(3)6-9)15(16)13-7-12(4)17-8-13/h5-8,15-16H,1-4H3
InChIKeyKHXKLIZPEHMRSX-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol?
The IUPAC name of (5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol (CID 65099676) is (5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for (5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol?
The canonical SMILES for (5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2csc(C)c2)c(C)c1.
What is the InChIKey of (5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol?
The InChIKey is KHXKLIZPEHMRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c1-9-5-10(2)14(11(3)6-9)15(16)13-7-12(4)17-8-13/h5-8,15-16H,1-4H3.
What are the key properties of (5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol?
(5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol has a molecular weight of 246.38 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 65099676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).