[2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol

C13H12F2O2S — CID 61101714

IUPAC[2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2ccccc2OC(F)F)s1
InChIInChI=1S/C13H12F2O2S/c1-8-6-7-11(18-8)12(16)9-4-2-3-5-10(9)17-13(14)15/h2-7,12-13,16H,1H3
InChIKeyKEGGXCKONLWTHB-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.74
Rot. Bonds4

About [2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol

[2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol (PubChem CID 61101714) has the molecular formula C13H12F2O2S and a molecular weight of 270.30 g/mol. Its IUPAC name is [2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol.

Molecular Properties

Compound Name[2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol
PubChem CID61101714
Molecular FormulaC13H12F2O2S
Molecular Weight270.30 g/mol
Exact Mass270.05
IUPAC Name[2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol
SMILESCc1ccc(C(O)c2ccccc2OC(F)F)s1
InChIInChI=1S/C13H12F2O2S/c1-8-6-7-11(18-8)12(16)9-4-2-3-5-10(9)17-13(14)15/h2-7,12-13,16H,1H3
InChIKeyKEGGXCKONLWTHB-UHFFFAOYSA-N
XLogP3.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[bromo-[2-(difluoromethoxy)phenyl]methyl]-5-methylthiophene
CID 63435734
(3-bromo-5-methylthiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanol
CID 65278800
[2-(difluoromethoxy)phenyl]-(2,3-dimethylphenyl)methanol
CID 63895942
[2-(difluoromethoxy)phenyl]-(3-methylphenyl)methanol
CID 63895753
[2-(difluoromethoxy)phenyl]-(2-methoxy-5-methylphenyl)methanol
CID 61081501
1-[2-(difluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 63894804
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
2-[bis(5-methylthiophen-2-yl)methyl]phenol
CID 135031967
3-[chloro-[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylthiophene
CID 55199092
[2-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanamine
CID 43322455
(3-methoxy-4-pyridinyl)-(5-methylthiophen-2-yl)methanol
CID 105066346
2-[bromo-(2-methoxyphenyl)methyl]-5-methylthiophene
CID 61085099

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol?
The IUPAC name of [2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol (CID 61101714) is [2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol.
What is the SMILES notation for [2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol?
The canonical SMILES for [2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol is Cc1ccc(C(O)c2ccccc2OC(F)F)s1.
What is the InChIKey of [2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol?
The InChIKey is KEGGXCKONLWTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2O2S/c1-8-6-7-11(18-8)12(16)9-4-2-3-5-10(9)17-13(14)15/h2-7,12-13,16H,1H3.
What are the key properties of [2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol?
[2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol has a molecular weight of 270.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)phenyl]-(5-methylthiophen-2-yl)methanol is sourced from PubChem (CID 61101714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).