2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene

C18H24OS — CID 15832960

IUPAC2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cc2ccccc2s1
InChIInChI=1S/C18H24OS/c1-12(2)15-9-8-13(3)10-16(15)19-18-11-14-6-4-5-7-17(14)20-18/h4-7,11-13,15-16H,8-10H2,1-3H3/t13-,15+,16-/m1/s1
InChIKeyOOKLHGYRCJYFGZ-VNQPRFMTSA-N
MW288.46 g/mol
LogP5.74
Rot. Bonds3

About 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene

2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene (PubChem CID 15832960) has the molecular formula C18H24OS and a molecular weight of 288.46 g/mol. Its IUPAC name is 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene.

Molecular Properties

Compound Name2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene
PubChem CID15832960
Molecular FormulaC18H24OS
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Name2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cc2ccccc2s1
InChIInChI=1S/C18H24OS/c1-12(2)15-9-8-13(3)10-16(15)19-18-11-14-6-4-5-7-17(14)20-18/h4-7,11-13,15-16H,8-10H2,1-3H3/t13-,15+,16-/m1/s1
InChIKeyOOKLHGYRCJYFGZ-VNQPRFMTSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-naphthalen-2-ylmethylidene]tungsten
CID 11135871
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] naphthalene-2,3-dicarboxylate
CID 10390964
3-(5-methyl-2-propan-2-ylcyclohexyl)oxyaniline
CID 80752408
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyfuran
CID 71368513
2-[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxybenzonitrile
CID 138978245
CID 117070570
CID 117070570
2-(5-methyl-2-propan-2-ylcyclohexyl)oxybenzenecarbothioamide
CID 43100670
2-[4-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphenyl]-2-phenylpropanenitrile
CID 162418325
[[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130025
[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 11792591
CID 6365001
CID 6365001
6-(5-methyl-2-propan-2-ylcyclohexyl)oxypyridine-2,3-diamine
CID 79827219

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene?
The IUPAC name of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene (CID 15832960) is 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene.
What is the SMILES notation for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene?
The canonical SMILES for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1cc2ccccc2s1.
What is the InChIKey of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene?
The InChIKey is OOKLHGYRCJYFGZ-VNQPRFMTSA-N. The full InChI is InChI=1S/C18H24OS/c1-12(2)15-9-8-13(3)10-16(15)19-18-11-14-6-4-5-7-17(14)20-18/h4-7,11-13,15-16H,8-10H2,1-3H3/t13-,15+,16-/m1/s1.
What are the key properties of 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene?
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene has a molecular weight of 288.46 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-benzothiophene is sourced from PubChem (CID 15832960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).