(4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol

C18H22OS — CID 61086819

IUPAC(4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2cc3c(s2)CCC3)cc1
InChIInChI=1S/C18H22OS/c1-18(2,3)14-9-7-12(8-10-14)17(19)16-11-13-5-4-6-15(13)20-16/h7-11,17,19H,4-6H2,1-3H3
InChIKeyKXTKLDXKJJBPJO-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.62
Rot. Bonds2

About (4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol

(4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol (PubChem CID 61086819) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
PubChem CID61086819
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name(4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
SMILESCC(C)(C)c1ccc(C(O)c2cc3c(s2)CCC3)cc1
InChIInChI=1S/C18H22OS/c1-18(2,3)14-9-7-12(8-10-14)17(19)16-11-13-5-4-6-15(13)20-16/h7-11,17,19H,4-6H2,1-3H3
InChIKeyKXTKLDXKJJBPJO-UHFFFAOYSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-propan-2-ylphenyl)methanol
CID 61083152
2,3-dihydro-1H-inden-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61086856
phenyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 15424085
(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 63426749
(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
(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
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(pyridin-3-yl)methanol
CID 114980045
2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61089380
(3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 114978572
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol?
The IUPAC name of (4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol (CID 61086819) is (4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol.
What is the SMILES notation for (4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol?
The canonical SMILES for (4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol is CC(C)(C)c1ccc(C(O)c2cc3c(s2)CCC3)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol?
The InChIKey is KXTKLDXKJJBPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c1-18(2,3)14-9-7-12(8-10-14)17(19)16-11-13-5-4-6-15(13)20-16/h7-11,17,19H,4-6H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol?
(4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol has a molecular weight of 286.44 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol is sourced from PubChem (CID 61086819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).