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

C16H13FOS — CID 105078220

IUPAC(5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc3cc(F)ccc3s2)cc1
InChIInChI=1S/C16H13FOS/c1-10-2-4-11(5-3-10)16(18)15-9-12-8-13(17)6-7-14(12)19-15/h2-9,16,18H,1H3
InChIKeyFDPQVKQBKMQAOV-UHFFFAOYSA-N
MW272.34 g/mol
LogP4.43
Rot. Bonds2

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

(5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol (PubChem CID 105078220) has the molecular formula C16H13FOS and a molecular weight of 272.34 g/mol. Its IUPAC name is (5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol.

Molecular Properties

Compound Name(5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol
PubChem CID105078220
Molecular FormulaC16H13FOS
Molecular Weight272.34 g/mol
Exact Mass272.07
IUPAC Name(5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)c2cc3cc(F)ccc3s2)cc1
InChIInChI=1S/C16H13FOS/c1-10-2-4-11(5-3-10)16(18)15-9-12-8-13(17)6-7-14(12)19-15/h2-9,16,18H,1H3
InChIKeyFDPQVKQBKMQAOV-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-fluoro-1-benzothiophen-2-yl)-(6-methyl-3-pyridinyl)methanol
CID 105096887
(5-fluoro-1-benzothiophen-2-yl)-thiophen-3-ylmethanol
CID 105102714
(4-bromophenyl)-(6-fluoro-1-benzothiophen-2-yl)methanol
CID 81104251
(5-fluoro-1-benzothiophen-2-yl)-(1-methylpyrazol-3-yl)methanol
CID 103138856
(1S)-1-(5-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268334
[10-[hydroxy-(4-methylphenyl)methyl]-3,7,11-trithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-(4-methylphenyl)methanol
CID 102044925
N-[1-(5-fluoro-1-benzothiophen-2-yl)ethyl]hydroxylamine
CID 19846311
2-(5-fluoro-1-benzothiophen-2-yl)propan-1-ol
CID 117121247
2-[bromo-(4-methylphenyl)methyl]-6-fluoro-1-benzothiophene
CID 81104328
[(6-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methyl]hydrazine
CID 105285355
(5-bromo-3-methyltriazol-4-yl)-(5-fluoro-1-benzothiophen-2-yl)methanol
CID 106465440
2-(2,6-dimethylphenyl)-1-(5-fluoro-1-benzothiophen-2-yl)ethanol
CID 105120769

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol?
The IUPAC name of (5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol (CID 105078220) is (5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol.
What is the SMILES notation for (5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol?
The canonical SMILES for (5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol is Cc1ccc(C(O)c2cc3cc(F)ccc3s2)cc1.
What is the InChIKey of (5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol?
The InChIKey is FDPQVKQBKMQAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FOS/c1-10-2-4-11(5-3-10)16(18)15-9-12-8-13(17)6-7-14(12)19-15/h2-9,16,18H,1H3.
What are the key properties of (5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol?
(5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol has a molecular weight of 272.34 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzothiophen-2-yl)-(4-methylphenyl)methanol is sourced from PubChem (CID 105078220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).