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

C19H22OS — CID 115839041

IUPAC(3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cccc(C2CCC2)c1)c1cc2c(s1)CCCC2
InChIInChI=1S/C19H22OS/c20-19(18-12-15-5-1-2-10-17(15)21-18)16-9-4-8-14(11-16)13-6-3-7-13/h4,8-9,11-13,19-20H,1-3,5-7,10H2
InChIKeyBTUFVOSDUDQCFJ-UHFFFAOYSA-N
MW298.45 g/mol
LogP4.98
Rot. Bonds3

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

(3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (PubChem CID 115839041) has the molecular formula C19H22OS and a molecular weight of 298.45 g/mol. Its IUPAC name is (3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.

Molecular Properties

Compound Name(3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
PubChem CID115839041
Molecular FormulaC19H22OS
Molecular Weight298.45 g/mol
Exact Mass298.14
IUPAC Name(3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
SMILESOC(c1cccc(C2CCC2)c1)c1cc2c(s1)CCCC2
InChIInChI=1S/C19H22OS/c20-19(18-12-15-5-1-2-10-17(15)21-18)16-9-4-8-14(11-16)13-6-3-7-13/h4,8-9,11-13,19-20H,1-3,5-7,10H2
InChIKeyBTUFVOSDUDQCFJ-UHFFFAOYSA-N
XLogP4.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.45
LogP ≤ 54.98
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
(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-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 115839009
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol
CID 114980045
(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 114601538
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
(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 63426749
(4-fluoro-3-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 79747225
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
(4-fluoro-3,5-dimethylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 65296586

Frequently Asked Questions

What is the IUPAC name of (3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The IUPAC name of (3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol (CID 115839041) is (3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol.
What is the SMILES notation for (3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The canonical SMILES for (3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is OC(c1cccc(C2CCC2)c1)c1cc2c(s1)CCCC2.
What is the InChIKey of (3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
The InChIKey is BTUFVOSDUDQCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22OS/c20-19(18-12-15-5-1-2-10-17(15)21-18)16-9-4-8-14(11-16)13-6-3-7-13/h4,8-9,11-13,19-20H,1-3,5-7,10H2.
What are the key properties of (3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol?
(3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol has a molecular weight of 298.45 g/mol, XLogP of 4.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclobutylphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol is sourced from PubChem (CID 115839041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).