2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol

C18H22O2S — CID 63016952

IUPAC2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
SMILESCOc1ccccc1CC(O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C18H22O2S/c1-20-16-9-6-5-7-13(16)11-15(19)18-12-14-8-3-2-4-10-17(14)21-18/h5-7,9,12,15,19H,2-4,8,10-11H2,1H3
InChIKeyTYUQDMFLSDMDGL-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.30
Rot. Bonds4

About 2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol

2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol (PubChem CID 63016952) has the molecular formula C18H22O2S and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
PubChem CID63016952
Molecular FormulaC18H22O2S
Molecular Weight302.44 g/mol
Exact Mass302.13
IUPAC Name2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
SMILESCOc1ccccc1CC(O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C18H22O2S/c1-20-16-9-6-5-7-13(16)11-15(19)18-12-14-8-3-2-4-10-17(14)21-18/h5-7,9,12,15,19H,2-4,8,10-11H2,1H3
InChIKeyTYUQDMFLSDMDGL-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol
CID 63016751
2-(2-bromo-5-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 115801375
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(3-methoxyphenyl)ethanol
CID 63016022
2-(2,3-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 107312537
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(4-fluorophenyl)ethanol
CID 55150651
2-(2-chloro-5-fluorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanol
CID 102623142
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803165
2-(4-propan-2-ylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 115788325
1-(2-methoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115793274
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanol
CID 114980354
[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105334246
2-(2-methoxyphenyl)-1-thiophen-2-ylethanol
CID 61087312

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol?
The IUPAC name of 2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol (CID 63016952) is 2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol is COc1ccccc1CC(O)c1cc2c(s1)CCCCC2.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol?
The InChIKey is TYUQDMFLSDMDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2S/c1-20-16-9-6-5-7-13(16)11-15(19)18-12-14-8-3-2-4-10-17(14)21-18/h5-7,9,12,15,19H,2-4,8,10-11H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol?
2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol has a molecular weight of 302.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanol is sourced from PubChem (CID 63016952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).