2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol

C16H22OS — CID 79227348

IUPAC2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
SMILESOC1CCCCCC1CC1Cc2ccccc2S1
InChIInChI=1S/C16H22OS/c17-15-8-3-1-2-6-12(15)10-14-11-13-7-4-5-9-16(13)18-14/h4-5,7,9,12,14-15,17H,1-3,6,8,10-11H2
InChIKeyOFGTZRAILSKYIX-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.03
Rot. Bonds2

About 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol (PubChem CID 79227348) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
PubChem CID79227348
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
SMILESOC1CCCCCC1CC1Cc2ccccc2S1
InChIInChI=1S/C16H22OS/c17-15-8-3-1-2-6-12(15)10-14-11-13-7-4-5-9-16(13)18-14/h4-5,7,9,12,14-15,17H,1-3,6,8,10-11H2
InChIKeyOFGTZRAILSKYIX-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 79229011
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79229061
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol
CID 79224580
N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81027517
2-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 79227947
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptanamine
CID 79215615
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine
CID 79227445
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one
CID 79228612
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azepane
CID 113440439
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 79206283
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol?
The IUPAC name of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol (CID 79227348) is 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol.
What is the SMILES notation for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol?
The canonical SMILES for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol is OC1CCCCCC1CC1Cc2ccccc2S1.
What is the InChIKey of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol?
The InChIKey is OFGTZRAILSKYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS/c17-15-8-3-1-2-6-12(15)10-14-11-13-7-4-5-9-16(13)18-14/h4-5,7,9,12,14-15,17H,1-3,6,8,10-11H2.
What are the key properties of 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol?
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol has a molecular weight of 262.42 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol is sourced from PubChem (CID 79227348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).