(3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

C15H15FOS — CID 114978572

IUPAC(3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cccc(F)c1)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H15FOS/c16-12-6-3-5-11(8-12)15(17)14-9-10-4-1-2-7-13(10)18-14/h3,5-6,8-9,15,17H,1-2,4,7H2
InChIKeyCOBWAUMUDAXRKM-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.85
Rot. Bonds2

About (3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol

(3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (PubChem CID 114978572) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is (3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
PubChem CID114978572
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name(3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cccc(F)c1)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H15FOS/c16-12-6-3-5-11(8-12)15(17)14-9-10-4-1-2-7-13(10)18-14/h3,5-6,8-9,15,17H,1-2,4,7H2
InChIKeyCOBWAUMUDAXRKM-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 15424085
2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856
(3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115839041
(4-fluoro-3-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 79747225
(2,5-difluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 61099599
(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 65296586
(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 63426749
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol
CID 114980045
(3-bromo-2-fluorophenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 106648361
2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61089380
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propan-2-ylphenyl)methanol
CID 61083152
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 55150651

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (CID 114978572) is (3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is OC(c1cccc(F)c1)c1cc2c(s1)CCCC2.
What is the InChIKey of (3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The InChIKey is COBWAUMUDAXRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c16-12-6-3-5-11(8-12)15(17)14-9-10-4-1-2-7-13(10)18-14/h3,5-6,8-9,15,17H,1-2,4,7H2.
What are the key properties of (3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
(3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol has a molecular weight of 262.35 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 114978572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).