(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol

C18H22OS — CID 63426749

IUPAC(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc3c(s2)CCCCC3)cc1
InChIInChI=1S/C18H22OS/c1-2-13-8-10-14(11-9-13)18(19)17-12-15-6-4-3-5-7-16(15)20-17/h8-12,18-19H,2-7H2,1H3
InChIKeyFPACJTHYNOLGPJ-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.66
Rot. Bonds3

About (4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol

(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol (PubChem CID 63426749) has the molecular formula C18H22OS and a molecular weight of 286.44 g/mol. Its IUPAC name is (4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol.

Molecular Properties

Compound Name(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
PubChem CID63426749
Molecular FormulaC18H22OS
Molecular Weight286.44 g/mol
Exact Mass286.14
IUPAC Name(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
SMILESCCc1ccc(C(O)c2cc3c(s2)CCCCC3)cc1
InChIInChI=1S/C18H22OS/c1-2-13-8-10-14(11-9-13)18(19)17-12-15-6-4-3-5-7-16(15)20-17/h8-12,18-19H,2-7H2,1H3
InChIKeyFPACJTHYNOLGPJ-UHFFFAOYSA-N
XLogP4.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.66
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
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
(4-tert-butylphenyl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanol
CID 61086819
(4-fluoro-3-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol
CID 79747225
(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
2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115788325
(3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 114978572
2,3-dihydro-1,4-benzodioxin-6-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 61089380
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-N-ethyl-2-(4-ethylphenyl)ethanamine
CID 115803851

Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
The IUPAC name of (4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol (CID 63426749) is (4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol.
What is the SMILES notation for (4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
The canonical SMILES for (4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol is CCc1ccc(C(O)c2cc3c(s2)CCCCC3)cc1.
What is the InChIKey of (4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
The InChIKey is FPACJTHYNOLGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22OS/c1-2-13-8-10-14(11-9-13)18(19)17-12-15-6-4-3-5-7-16(15)20-17/h8-12,18-19H,2-7H2,1H3.
What are the key properties of (4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol?
(4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol has a molecular weight of 286.44 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methanol is sourced from PubChem (CID 63426749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).