(3-methylphenyl)-(5-methylthiophen-3-yl)methanol

C13H14OS — CID 65099789

IUPAC(3-methylphenyl)-(5-methylthiophen-3-yl)methanol
SMILESCc1cccc(C(O)c2csc(C)c2)c1
InChIInChI=1S/C13H14OS/c1-9-4-3-5-11(6-9)13(14)12-7-10(2)15-8-12/h3-8,13-14H,1-2H3
InChIKeyBNUCWJANXLDINK-UHFFFAOYSA-N
MW218.32 g/mol
LogP3.45
Rot. Bonds2

About (3-methylphenyl)-(5-methylthiophen-3-yl)methanol

(3-methylphenyl)-(5-methylthiophen-3-yl)methanol (PubChem CID 65099789) has the molecular formula C13H14OS and a molecular weight of 218.32 g/mol. Its IUPAC name is (3-methylphenyl)-(5-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name(3-methylphenyl)-(5-methylthiophen-3-yl)methanol
PubChem CID65099789
Molecular FormulaC13H14OS
Molecular Weight218.32 g/mol
Exact Mass218.08
IUPAC Name(3-methylphenyl)-(5-methylthiophen-3-yl)methanol
SMILESCc1cccc(C(O)c2csc(C)c2)c1
InChIInChI=1S/C13H14OS/c1-9-4-3-5-11(6-9)13(14)12-7-10(2)15-8-12/h3-8,13-14H,1-2H3
InChIKeyBNUCWJANXLDINK-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099498
(3-bromophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099273
(3,4-dimethylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65100079
(2-methyl-4-pyridinyl)-(5-methylthiophen-3-yl)methanol
CID 106756231
(4-fluoro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 65099619
(4-chloro-3-methylphenyl)-(5-methylthiophen-3-yl)methanol
CID 115807784
(3-methylphenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756084
(3,5-dichlorophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099738
(5-methylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanol
CID 65099676
(4-iodophenyl)-(3-methylphenyl)methanol
CID 114978089
(5-methylthiophen-2-yl)-(5-methylthiophen-3-yl)methanol
CID 65099731
(4-tert-butylphenyl)-(3-methylphenyl)methanol
CID 2757292

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-(5-methylthiophen-3-yl)methanol?
The IUPAC name of (3-methylphenyl)-(5-methylthiophen-3-yl)methanol (CID 65099789) is (3-methylphenyl)-(5-methylthiophen-3-yl)methanol.
What is the SMILES notation for (3-methylphenyl)-(5-methylthiophen-3-yl)methanol?
The canonical SMILES for (3-methylphenyl)-(5-methylthiophen-3-yl)methanol is Cc1cccc(C(O)c2csc(C)c2)c1.
What is the InChIKey of (3-methylphenyl)-(5-methylthiophen-3-yl)methanol?
The InChIKey is BNUCWJANXLDINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14OS/c1-9-4-3-5-11(6-9)13(14)12-7-10(2)15-8-12/h3-8,13-14H,1-2H3.
What are the key properties of (3-methylphenyl)-(5-methylthiophen-3-yl)methanol?
(3-methylphenyl)-(5-methylthiophen-3-yl)methanol has a molecular weight of 218.32 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-(5-methylthiophen-3-yl)methanol is sourced from PubChem (CID 65099789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).