7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane]

C14H18OS — CID 90137329

IUPAC7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane]
SMILESCOc1cccc2c1SC1(CCCCC1)C2
InChIInChI=1S/C14H18OS/c1-15-12-7-5-6-11-10-14(16-13(11)12)8-3-2-4-9-14/h5-7H,2-4,8-10H2,1H3
InChIKeyJIPWSHSMYNRQOV-UHFFFAOYSA-N
MW234.36 g/mol
LogP4.05
Rot. Bonds1

About 7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane]

7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane] (PubChem CID 90137329) has the molecular formula C14H18OS and a molecular weight of 234.36 g/mol. Its IUPAC name is 7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane].

Molecular Properties

Compound Name7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane]
PubChem CID90137329
Molecular FormulaC14H18OS
Molecular Weight234.36 g/mol
Exact Mass234.11
IUPAC Name7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane]
SMILESCOc1cccc2c1SC1(CCCCC1)C2
InChIInChI=1S/C14H18OS/c1-15-12-7-5-6-11-10-14(16-13(11)12)8-3-2-4-9-14/h5-7H,2-4,8-10H2,1H3
InChIKeyJIPWSHSMYNRQOV-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane] with MolForge

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Related Compounds

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5-methoxyspiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 82128708
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8-methoxyspiro[4H-1,4-benzothiazine-2,1'-cyclobutane]-3-one
CID 115097235
2-methoxy-7-thiabicyclo[4.1.0]hepta-1,3,5-triene
CID 172854405
3-fluoro-4-methoxy-3-methyl-1,2-dihydroindene
CID 84718384
2,2,3,3-tetrafluoro-4-methoxy-1H-indene
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(2,8-dimethoxy-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 105477816
1-[2-(6-methoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]cyclohexan-1-amine
CID 69095548
1-(2-methoxy-6-methylsulfanylphenyl)cyclohexan-1-amine
CID 117382282

Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane]?
The IUPAC name of 7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane] (CID 90137329) is 7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane].
What is the SMILES notation for 7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane]?
The canonical SMILES for 7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane] is COc1cccc2c1SC1(CCCCC1)C2.
What is the InChIKey of 7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane]?
The InChIKey is JIPWSHSMYNRQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS/c1-15-12-7-5-6-11-10-14(16-13(11)12)8-3-2-4-9-14/h5-7H,2-4,8-10H2,1H3.
What are the key properties of 7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane]?
7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane] has a molecular weight of 234.36 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[3H-1-benzothiophene-2,1'-cyclohexane] is sourced from PubChem (CID 90137329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).