2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol

C14H16OS — CID 142100963

IUPAC2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol
SMILESCCc1cc(Cc2ccc(C)s2)ccc1O
InChIInChI=1S/C14H16OS/c1-3-12-8-11(5-7-14(12)15)9-13-6-4-10(2)16-13/h4-8,15H,3,9H2,1-2H3
InChIKeyPXWUHTYNFDTDAC-UHFFFAOYSA-N
MW232.35 g/mol
LogP3.92
Rot. Bonds3

About 2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol

2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol (PubChem CID 142100963) has the molecular formula C14H16OS and a molecular weight of 232.35 g/mol. Its IUPAC name is 2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol.

Molecular Properties

Compound Name2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol
PubChem CID142100963
Molecular FormulaC14H16OS
Molecular Weight232.35 g/mol
Exact Mass232.09
IUPAC Name2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol
SMILESCCc1cc(Cc2ccc(C)s2)ccc1O
InChIInChI=1S/C14H16OS/c1-3-12-8-11(5-7-14(12)15)9-13-6-4-10(2)16-13/h4-8,15H,3,9H2,1-2H3
InChIKeyPXWUHTYNFDTDAC-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol?
The IUPAC name of 2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol (CID 142100963) is 2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol.
What is the SMILES notation for 2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol?
The canonical SMILES for 2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol is CCc1cc(Cc2ccc(C)s2)ccc1O.
What is the InChIKey of 2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol?
The InChIKey is PXWUHTYNFDTDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16OS/c1-3-12-8-11(5-7-14(12)15)9-13-6-4-10(2)16-13/h4-8,15H,3,9H2,1-2H3.
What are the key properties of 2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol?
2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol has a molecular weight of 232.35 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(5-methylthiophen-2-yl)methyl]phenol is sourced from PubChem (CID 142100963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).