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

C15H16OS — CID 15424085

IUPACphenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESOC(c1ccccc1)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H16OS/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h1-3,6-7,10,15-16H,4-5,8-9H2
InChIKeyXPWXDWMQUIUSCO-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.71
Rot. Bonds2

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

phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (PubChem CID 15424085) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Namephenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
PubChem CID15424085
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Namephenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESOC(c1ccccc1)c1cc2c(s1)CCCC2
InChIInChI=1S/C15H16OS/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h1-3,6-7,10,15-16H,4-5,8-9H2
InChIKeyXPWXDWMQUIUSCO-UHFFFAOYSA-N
XLogP3.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 114978572
2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propan-2-ylphenyl)methanol
CID 61083152
(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-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115839041
(4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
CID 61086819
(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 65296586
(6-methyl-3-pyridinyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115796780
2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61089380
(4-chloro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 115818050
(4-fluoro-3-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 79747225

Frequently Asked Questions

What is the IUPAC name of phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The IUPAC name of phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (CID 15424085) is phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is OC(c1ccccc1)c1cc2c(s1)CCCC2.
What is the InChIKey of phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The InChIKey is XPWXDWMQUIUSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h1-3,6-7,10,15-16H,4-5,8-9H2.
What are the key properties of phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol has a molecular weight of 244.36 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 15424085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).