3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol

C15H18OS — CID 79224668

IUPAC3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol
SMILESOC1C=C(CC2Cc3ccccc3S2)CCC1
InChIInChI=1S/C15H18OS/c16-13-6-3-4-11(8-13)9-14-10-12-5-1-2-7-15(12)17-14/h1-2,5,7-8,13-14,16H,3-4,6,9-10H2
InChIKeySWJXNGJNPBDZSI-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.56
Rot. Bonds2

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

3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol (PubChem CID 79224668) has the molecular formula C15H18OS and a molecular weight of 246.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol
PubChem CID79224668
Molecular FormulaC15H18OS
Molecular Weight246.38 g/mol
Exact Mass246.11
IUPAC Name3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol
SMILESOC1C=C(CC2Cc3ccccc3S2)CCC1
InChIInChI=1S/C15H18OS/c16-13-6-3-4-11(8-13)9-14-10-12-5-1-2-7-15(12)17-14/h1-2,5,7-8,13-14,16H,3-4,6,9-10H2
InChIKeySWJXNGJNPBDZSI-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopent-2-en-1-one
CID 79224748
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cycloheptan-1-ol
CID 79227348
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidin-4-ol
CID 79227966
4-(2,3-dihydro-1-benzothiophen-2-yl)butanoic acid
CID 81009486
2-ethyl-2,3-dihydro-1-benzothiophene
CID 13010667
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79229061
2-(1,2,3,4-tetrahydronaphthalen-1-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79408103
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylcyclopentan-1-ol
CID 79224580
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)piperidine
CID 18545992
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)azocane
CID 79319950
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-methylbut-2-en-1-amine
CID 106188620
2-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohexan-1-one
CID 79228612

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol (CID 79224668) is 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol is OC1C=C(CC2Cc3ccccc3S2)CCC1.
What is the InChIKey of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol?
The InChIKey is SWJXNGJNPBDZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS/c16-13-6-3-4-11(8-13)9-14-10-12-5-1-2-7-15(12)17-14/h1-2,5,7-8,13-14,16H,3-4,6,9-10H2.
What are the key properties of 3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol?
3-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclohex-2-en-1-ol has a molecular weight of 246.38 g/mol, XLogP of 3.56, 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)cyclohex-2-en-1-ol is sourced from PubChem (CID 79224668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).