(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol

C16H11F3OS — CID 81105622

IUPAC(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESCc1cc(C(O)c2cc3ccc(F)cc3s2)c(F)cc1F
InChIInChI=1S/C16H11F3OS/c1-8-4-11(13(19)7-12(8)18)16(20)15-5-9-2-3-10(17)6-14(9)21-15/h2-7,16,20H,1H3
InChIKeyYTFQXZIIWCHPGE-UHFFFAOYSA-N
MW308.32 g/mol
LogP4.71
Rot. Bonds2

About (2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol

(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 81105622) has the molecular formula C16H11F3OS and a molecular weight of 308.32 g/mol. Its IUPAC name is (2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID81105622
Molecular FormulaC16H11F3OS
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC Name(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
SMILESCc1cc(C(O)c2cc3ccc(F)cc3s2)c(F)cc1F
InChIInChI=1S/C16H11F3OS/c1-8-4-11(13(19)7-12(8)18)16(20)15-5-9-2-3-10(17)6-14(9)21-15/h2-7,16,20H,1H3
InChIKeyYTFQXZIIWCHPGE-UHFFFAOYSA-N
XLogP4.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115142
(5-bromo-2-fluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 115820659
(2,5-dibromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104668
(2-ethoxyphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 115795636
(5-chloro-4-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102764552
(5-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 79731095
(6-fluoro-1-benzothiophen-2-yl)-(2,4,5-trimethylphenyl)methanamine
CID 104990499
(4-bromo-5-methylthiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 102834844
2-(6-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117122437
(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104251
(2,4-difluoro-5-methylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 79731435
(3-bromo-2,6-difluorophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 106945171

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol (CID 81105622) is (2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol is Cc1cc(C(O)c2cc3ccc(F)cc3s2)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is YTFQXZIIWCHPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3OS/c1-8-4-11(13(19)7-12(8)18)16(20)15-5-9-2-3-10(17)6-14(9)21-15/h2-7,16,20H,1H3.
What are the key properties of (2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol?
(2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 308.32 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-methylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 81105622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).