(4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol

C15H17FOS — CID 106879459

IUPAC(4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
SMILESCc1cc(C(O)c2c(C)cc(F)cc2C)sc1C
InChIInChI=1S/C15H17FOS/c1-8-7-13(18-11(8)4)15(17)14-9(2)5-12(16)6-10(14)3/h5-7,15,17H,1-4H3
InChIKeyNPJAQYXHAPXVCC-UHFFFAOYSA-N
MW264.36 g/mol
LogP4.20
Rot. Bonds2

About (4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol

(4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol (PubChem CID 106879459) has the molecular formula C15H17FOS and a molecular weight of 264.36 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
PubChem CID106879459
Molecular FormulaC15H17FOS
Molecular Weight264.36 g/mol
Exact Mass264.10
IUPAC Name(4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
SMILESCc1cc(C(O)c2c(C)cc(F)cc2C)sc1C
InChIInChI=1S/C15H17FOS/c1-8-7-13(18-11(8)4)15(17)14-9(2)5-12(16)6-10(14)3/h5-7,15,17H,1-4H3
InChIKeyNPJAQYXHAPXVCC-UHFFFAOYSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dibromothiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879530
(4,5-dimethylthiophen-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 107130699
1-(4,5-dimethylthiophen-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 65237793
(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106880220
(4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 106879405
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 115820072
(2,6-dichlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879443
(4-butan-2-ylphenyl)-(4,5-dimethylthiophen-2-yl)methanol
CID 65238991
(5-ethylfuran-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879516
(3-bromothiophen-2-yl)-(4,5-dimethylthiophen-2-yl)methanol
CID 80535842
(4,5-dibromothiophen-2-yl)-(2,4,6-trimethylphenyl)methanol
CID 80535503
(2,5-dimethylthiophen-3-yl)-(2,4,6-trifluorophenyl)methanol
CID 65100285

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol (CID 106879459) is (4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol is Cc1cc(C(O)c2c(C)cc(F)cc2C)sc1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol?
The InChIKey is NPJAQYXHAPXVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FOS/c1-8-7-13(18-11(8)4)15(17)14-9(2)5-12(16)6-10(14)3/h5-7,15,17H,1-4H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol?
(4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol has a molecular weight of 264.36 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol is sourced from PubChem (CID 106879459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).