2-methyl-4-(3-methylthiophen-2-yl)phenol

C12H12OS — CID 53445621

IUPAC2-methyl-4-(3-methylthiophen-2-yl)phenol
SMILESCc1cc(-c2sccc2C)ccc1O
InChIInChI=1S/C12H12OS/c1-8-5-6-14-12(8)10-3-4-11(13)9(2)7-10/h3-7,13H,1-2H3
InChIKeyIVRHLZWBZKSCJW-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.74
Rot. Bonds1

About 2-methyl-4-(3-methylthiophen-2-yl)phenol

2-methyl-4-(3-methylthiophen-2-yl)phenol (PubChem CID 53445621) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-methyl-4-(3-methylthiophen-2-yl)phenol.

Molecular Properties

Compound Name2-methyl-4-(3-methylthiophen-2-yl)phenol
PubChem CID53445621
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name2-methyl-4-(3-methylthiophen-2-yl)phenol
SMILESCc1cc(-c2sccc2C)ccc1O
InChIInChI=1S/C12H12OS/c1-8-5-6-14-12(8)10-3-4-11(13)9(2)7-10/h3-7,13H,1-2H3
InChIKeyIVRHLZWBZKSCJW-UHFFFAOYSA-N
XLogP3.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methylthiophen-2-yl)phenol?
The IUPAC name of 2-methyl-4-(3-methylthiophen-2-yl)phenol (CID 53445621) is 2-methyl-4-(3-methylthiophen-2-yl)phenol.
What is the SMILES notation for 2-methyl-4-(3-methylthiophen-2-yl)phenol?
The canonical SMILES for 2-methyl-4-(3-methylthiophen-2-yl)phenol is Cc1cc(-c2sccc2C)ccc1O.
What is the InChIKey of 2-methyl-4-(3-methylthiophen-2-yl)phenol?
The InChIKey is IVRHLZWBZKSCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-8-5-6-14-12(8)10-3-4-11(13)9(2)7-10/h3-7,13H,1-2H3.
What are the key properties of 2-methyl-4-(3-methylthiophen-2-yl)phenol?
2-methyl-4-(3-methylthiophen-2-yl)phenol has a molecular weight of 204.29 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methylthiophen-2-yl)phenol is sourced from PubChem (CID 53445621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).