(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol

C12H11FOS — CID 65099500

IUPAC(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol
SMILESCc1ccc(C(O)c2ccsc2)cc1F
InChIInChI=1S/C12H11FOS/c1-8-2-3-9(6-11(8)13)12(14)10-4-5-15-7-10/h2-7,12,14H,1H3
InChIKeyXGGKLLVDHNOQOD-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.28
Rot. Bonds2

About (3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol

(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol (PubChem CID 65099500) has the molecular formula C12H11FOS and a molecular weight of 222.28 g/mol. Its IUPAC name is (3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol.

Molecular Properties

Compound Name(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol
PubChem CID65099500
Molecular FormulaC12H11FOS
Molecular Weight222.28 g/mol
Exact Mass222.05
IUPAC Name(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol
SMILESCc1ccc(C(O)c2ccsc2)cc1F
InChIInChI=1S/C12H11FOS/c1-8-2-3-9(6-11(8)13)12(14)10-4-5-15-7-10/h2-7,12,14H,1H3
InChIKeyXGGKLLVDHNOQOD-UHFFFAOYSA-N
XLogP3.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-thiophen-3-ylmethanol
CID 61087371
(4-fluoro-3,5-dimethylphenyl)-thiophen-3-ylmethanol
CID 65296943
(3-methoxy-4-methylphenyl)-thiophen-3-ylmethanol
CID 115805659
(R)-(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanol
CID 96932942
(4-chloro-3-methylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107130625
(4-ethylsulfanylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128664
(2,5-difluorophenyl)-thiophen-3-ylmethanol
CID 61099759
(3-fluoro-4-methylphenyl)-pyrimidin-5-ylmethanol
CID 62490525
(3-fluoro-4-methylphenyl)-(4-methoxyphenyl)methanol
CID 60798694
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
(3-fluoro-4-methylphenyl)-(1,3-thiazol-2-yl)methanol
CID 107128181
(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 107130699

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol?
The IUPAC name of (3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol (CID 65099500) is (3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol.
What is the SMILES notation for (3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol?
The canonical SMILES for (3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol is Cc1ccc(C(O)c2ccsc2)cc1F.
What is the InChIKey of (3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol?
The InChIKey is XGGKLLVDHNOQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FOS/c1-8-2-3-9(6-11(8)13)12(14)10-4-5-15-7-10/h2-7,12,14H,1H3.
What are the key properties of (3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol?
(3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol has a molecular weight of 222.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methylphenyl)-thiophen-3-ylmethanol is sourced from PubChem (CID 65099500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).