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

C15H20OS — CID 79224580

IUPAC3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol
SMILESCC1C(O)CCC1CC1Cc2ccccc2S1
InChIInChI=1S/C15H20OS/c1-10-11(6-7-14(10)16)8-13-9-12-4-2-3-5-15(12)17-13/h2-5,10-11,13-14,16H,6-9H2,1H3
InChIKeyQOAOUXVJOYVANR-UHFFFAOYSA-N
MW248.39 g/mol
LogP3.50
Rot. Bonds2

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

3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol (PubChem CID 79224580) has the molecular formula C15H20OS and a molecular weight of 248.39 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol
PubChem CID79224580
Molecular FormulaC15H20OS
Molecular Weight248.39 g/mol
Exact Mass248.12
IUPAC Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol
SMILESCC1C(O)CCC1CC1Cc2ccccc2S1
InChIInChI=1S/C15H20OS/c1-10-11(6-7-14(10)16)8-13-9-12-4-2-3-5-15(12)17-13/h2-5,10-11,13-14,16H,6-9H2,1H3
InChIKeyQOAOUXVJOYVANR-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethyl-2-methylcyclopentan-1-amine
CID 79223818
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
CID 79227348
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-methylcyclohexan-1-amine
CID 79227445
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79229061
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 79229011
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 81013247
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012673
2-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-2,3-dihydro-1-benzothiophene
CID 79227947
4-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylthiolan-3-amine
CID 83196720
N-[[2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopentyl]methyl]cyclopropanamine
CID 81027517
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
CID 79227966

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol (CID 79224580) is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol is CC1C(O)CCC1CC1Cc2ccccc2S1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol?
The InChIKey is QOAOUXVJOYVANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS/c1-10-11(6-7-14(10)16)8-13-9-12-4-2-3-5-15(12)17-13/h2-5,10-11,13-14,16H,6-9H2,1H3.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol?
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol has a molecular weight of 248.39 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 79224580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).