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

C9H7FOS — CID 53396439

IUPAC(4-fluoro-1-benzothiophen-2-yl)methanol
SMILESOCc1cc2c(F)cccc2s1
InChIInChI=1S/C9H7FOS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,11H,5H2
InChIKeyVRHVHHZXYVVURV-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.53
Rot. Bonds1

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

(4-fluoro-1-benzothiophen-2-yl)methanol (PubChem CID 53396439) has the molecular formula C9H7FOS and a molecular weight of 182.22 g/mol. Its IUPAC name is (4-fluoro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-1-benzothiophen-2-yl)methanol
PubChem CID53396439
Molecular FormulaC9H7FOS
Molecular Weight182.22 g/mol
Exact Mass182.02
IUPAC Name(4-fluoro-1-benzothiophen-2-yl)methanol
SMILESOCc1cc2c(F)cccc2s1
InChIInChI=1S/C9H7FOS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,11H,5H2
InChIKeyVRHVHHZXYVVURV-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzothiophen-3-ylmethanol
CID 2776342
2-(Hydroxymethyl)benzo[b]thiophene
CID 2776335
Phenyl(2-thienyl)methanol
CID 2741016
1-Benzothiophen-5-ylmethanol
CID 2795446
O-[(1-benzothiophen-2-yl)methyl]hydroxylamine
CID 117194307
1-Benzothiophen-6-ylmethanol
CID 13540121
cis-1,2-Dihydroxy-1,2-dihydrodibenzothiophene
CID 5460102
Cyclohexanol, 1-benzo[b]thien-2-yl-
CID 398367
(2-(Benzo[b]thiophen-2-yl)phenyl)methanol
CID 46228230
1-(1-Benzothiophen-2-yl)-2-methylsulfinylethanol
CID 53233005
(6-Bromo-1-benzothiophen-2-yl)methanol
CID 13567983
(1-Benzothiophen-7-yl)methanol
CID 16640611

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (4-fluoro-1-benzothiophen-2-yl)methanol (CID 53396439) is (4-fluoro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (4-fluoro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (4-fluoro-1-benzothiophen-2-yl)methanol is OCc1cc2c(F)cccc2s1.
What is the InChIKey of (4-fluoro-1-benzothiophen-2-yl)methanol?
The InChIKey is VRHVHHZXYVVURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FOS/c10-8-2-1-3-9-7(8)4-6(5-11)12-9/h1-4,11H,5H2.
What are the key properties of (4-fluoro-1-benzothiophen-2-yl)methanol?
(4-fluoro-1-benzothiophen-2-yl)methanol has a molecular weight of 182.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 53396439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).