1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol

C17H24OS — CID 79987085

IUPAC1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol
SMILESOC(Cc1ccsc1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24OS/c18-16(6-12-1-2-19-11-12)10-17-7-13-3-14(8-17)5-15(4-13)9-17/h1-2,11,13-16,18H,3-10H2
InChIKeyDQPDHOSBCMIUBF-UHFFFAOYSA-N
MW276.44 g/mol
LogP4.26
Rot. Bonds4

About 1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol

1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol (PubChem CID 79987085) has the molecular formula C17H24OS and a molecular weight of 276.44 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol
PubChem CID79987085
Molecular FormulaC17H24OS
Molecular Weight276.44 g/mol
Exact Mass276.15
IUPAC Name1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol
SMILESOC(Cc1ccsc1)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H24OS/c18-16(6-12-1-2-19-11-12)10-17-7-13-3-14(8-17)5-15(4-13)9-17/h1-2,11,13-16,18H,3-10H2
InChIKeyDQPDHOSBCMIUBF-UHFFFAOYSA-N
XLogP4.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(4-iodophenyl)-3-thiophen-3-ylpropan-2-ol
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1-(1-adamantyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propan-2-ol
CID 115826136
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
1-(1-hydroxy-2-thiophen-3-ylethyl)cycloheptan-1-ol
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1-thiophen-3-yltetradecan-2-ol
CID 105090220
1-thiophen-3-yl-3-[4-(trifluoromethyl)phenyl]propan-2-ol
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1-(1,4-dioxan-2-yl)-2-thiophen-3-ylethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol?
The IUPAC name of 1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol (CID 79987085) is 1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol.
What is the SMILES notation for 1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol?
The canonical SMILES for 1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol is OC(Cc1ccsc1)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol?
The InChIKey is DQPDHOSBCMIUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24OS/c18-16(6-12-1-2-19-11-12)10-17-7-13-3-14(8-17)5-15(4-13)9-17/h1-2,11,13-16,18H,3-10H2.
What are the key properties of 1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol?
1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol has a molecular weight of 276.44 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-thiophen-3-ylpropan-2-ol is sourced from PubChem (CID 79987085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).