(4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol

C13H13FOS — CID 65296943

IUPAC(4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol
SMILESCc1cc(C(O)c2ccsc2)cc(C)c1F
InChIInChI=1S/C13H13FOS/c1-8-5-11(6-9(2)12(8)14)13(15)10-3-4-16-7-10/h3-7,13,15H,1-2H3
InChIKeyXFLQAEVMDOKILN-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.59
Rot. Bonds2

About (4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol

(4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol (PubChem CID 65296943) has the molecular formula C13H13FOS and a molecular weight of 236.31 g/mol. Its IUPAC name is (4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol
PubChem CID65296943
Molecular FormulaC13H13FOS
Molecular Weight236.31 g/mol
Exact Mass236.07
IUPAC Name(4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol
SMILESCc1cc(C(O)c2ccsc2)cc(C)c1F
InChIInChI=1S/C13H13FOS/c1-8-5-11(6-9(2)12(8)14)13(15)10-3-4-16-7-10/h3-7,13,15H,1-2H3
InChIKeyXFLQAEVMDOKILN-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293171
(S)-(4-methoxy-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 97293168
(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol
CID 65099500
(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol
CID 115805659
(4-fluoro-3,5-dimethylphenyl)-(4-propan-2-ylphenyl)methanol
CID 65297282
(3,4-difluorophenyl)-thiophen-3-ylmethanol
CID 61087371
(5-bromo-2-methylphenyl)-thiophen-3-ylmethanol
CID 115805475
(4-fluoro-3,5-dimethylphenyl)-(4-methoxyphenyl)methanol
CID 65296830
(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol
CID 65296831
thiophen-3-yl-(4-trimethylsilylphenyl)methanol
CID 166444858
(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol
CID 96932942
(3-chloro-4-methylphenyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 65296780

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol?
The IUPAC name of (4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol (CID 65296943) is (4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol.
What is the SMILES notation for (4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol?
The canonical SMILES for (4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol is Cc1cc(C(O)c2ccsc2)cc(C)c1F.
What is the InChIKey of (4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol?
The InChIKey is XFLQAEVMDOKILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FOS/c1-8-5-11(6-9(2)12(8)14)13(15)10-3-4-16-7-10/h3-7,13,15H,1-2H3.
What are the key properties of (4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol?
(4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol has a molecular weight of 236.31 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol is sourced from PubChem (CID 65296943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).