2-phenyladamantan-2-ol

C16H20O — CID 571171

IUPAC2-phenyladamantan-2-ol
SMILESOC1(c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H20O/c17-16(13-4-2-1-3-5-13)14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-15,17H,6-10H2
InChIKeyFSVUOZUVEZBKGB-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.33
Rot. Bonds1

About 2-phenyladamantan-2-ol

2-phenyladamantan-2-ol (PubChem CID 571171) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-phenyladamantan-2-ol.

Molecular Properties

Compound Name2-phenyladamantan-2-ol
PubChem CID571171
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name2-phenyladamantan-2-ol
SMILESOC1(c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H20O/c17-16(13-4-2-1-3-5-13)14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-15,17H,6-10H2
InChIKeyFSVUOZUVEZBKGB-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyladamantan-2-ol?
The IUPAC name of 2-phenyladamantan-2-ol (CID 571171) is 2-phenyladamantan-2-ol.
What is the SMILES notation for 2-phenyladamantan-2-ol?
The canonical SMILES for 2-phenyladamantan-2-ol is OC1(c2ccccc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-phenyladamantan-2-ol?
The InChIKey is FSVUOZUVEZBKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O/c17-16(13-4-2-1-3-5-13)14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-15,17H,6-10H2.
What are the key properties of 2-phenyladamantan-2-ol?
2-phenyladamantan-2-ol has a molecular weight of 228.34 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyladamantan-2-ol is sourced from PubChem (CID 571171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).