3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol

C19H18OS — CID 67990916

IUPAC3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol
SMILESCc1ccc(C)c(Cc2ccc(-c3cccc(O)c3)s2)c1
InChIInChI=1S/C19H18OS/c1-13-6-7-14(2)16(10-13)12-18-8-9-19(21-18)15-4-3-5-17(20)11-15/h3-11,20H,12H2,1-2H3
InChIKeyVLYKQXNBQSUHFW-UHFFFAOYSA-N
MW294.42 g/mol
LogP5.33
Rot. Bonds3

About 3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol

3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol (PubChem CID 67990916) has the molecular formula C19H18OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol.

Molecular Properties

Compound Name3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol
PubChem CID67990916
Molecular FormulaC19H18OS
Molecular Weight294.42 g/mol
Exact Mass294.11
IUPAC Name3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol
SMILESCc1ccc(C)c(Cc2ccc(-c3cccc(O)c3)s2)c1
InChIInChI=1S/C19H18OS/c1-13-6-7-14(2)16(10-13)12-18-8-9-19(21-18)15-4-3-5-17(20)11-15/h3-11,20H,12H2,1-2H3
InChIKeyVLYKQXNBQSUHFW-UHFFFAOYSA-N
XLogP5.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol?
The IUPAC name of 3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol (CID 67990916) is 3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol.
What is the SMILES notation for 3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol?
The canonical SMILES for 3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol is Cc1ccc(C)c(Cc2ccc(-c3cccc(O)c3)s2)c1.
What is the InChIKey of 3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol?
The InChIKey is VLYKQXNBQSUHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18OS/c1-13-6-7-14(2)16(10-13)12-18-8-9-19(21-18)15-4-3-5-17(20)11-15/h3-11,20H,12H2,1-2H3.
What are the key properties of 3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol?
3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol has a molecular weight of 294.42 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2,5-dimethylphenyl)methyl]thiophen-2-yl]phenol is sourced from PubChem (CID 67990916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).