2-adamantyl-(5-methylthiophen-3-yl)methanol

C16H22OS — CID 115807551

IUPAC2-adamantyl-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)C2C3CC4CC(C3)CC2C4)cs1
InChIInChI=1S/C16H22OS/c1-9-2-14(8-18-9)16(17)15-12-4-10-3-11(6-12)7-13(15)5-10/h2,8,10-13,15-17H,3-7H2,1H3
InChIKeyDDEZBCSUGACYBP-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.16
Rot. Bonds2

About 2-adamantyl-(5-methylthiophen-3-yl)methanol

2-adamantyl-(5-methylthiophen-3-yl)methanol (PubChem CID 115807551) has the molecular formula C16H22OS and a molecular weight of 262.42 g/mol. Its IUPAC name is 2-adamantyl-(5-methylthiophen-3-yl)methanol.

Molecular Properties

Compound Name2-adamantyl-(5-methylthiophen-3-yl)methanol
PubChem CID115807551
Molecular FormulaC16H22OS
Molecular Weight262.42 g/mol
Exact Mass262.14
IUPAC Name2-adamantyl-(5-methylthiophen-3-yl)methanol
SMILESCc1cc(C(O)C2C3CC4CC(C3)CC2C4)cs1
InChIInChI=1S/C16H22OS/c1-9-2-14(8-18-9)16(17)15-12-4-10-3-11(6-12)7-13(15)5-10/h2,8,10-13,15-17H,3-7H2,1H3
InChIKeyDDEZBCSUGACYBP-UHFFFAOYSA-N
XLogP4.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-(5-methylthiophen-3-yl)methanol?
The IUPAC name of 2-adamantyl-(5-methylthiophen-3-yl)methanol (CID 115807551) is 2-adamantyl-(5-methylthiophen-3-yl)methanol.
What is the SMILES notation for 2-adamantyl-(5-methylthiophen-3-yl)methanol?
The canonical SMILES for 2-adamantyl-(5-methylthiophen-3-yl)methanol is Cc1cc(C(O)C2C3CC4CC(C3)CC2C4)cs1.
What is the InChIKey of 2-adamantyl-(5-methylthiophen-3-yl)methanol?
The InChIKey is DDEZBCSUGACYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22OS/c1-9-2-14(8-18-9)16(17)15-12-4-10-3-11(6-12)7-13(15)5-10/h2,8,10-13,15-17H,3-7H2,1H3.
What are the key properties of 2-adamantyl-(5-methylthiophen-3-yl)methanol?
2-adamantyl-(5-methylthiophen-3-yl)methanol has a molecular weight of 262.42 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-(5-methylthiophen-3-yl)methanol is sourced from PubChem (CID 115807551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).