6-(1-adamantyl)naphthalen-2-ol

C20H22O — CID 624183

IUPAC6-(1-adamantyl)naphthalen-2-ol
SMILESOc1ccc2cc(C34CC5CC(CC(C5)C3)C4)ccc2c1
InChIInChI=1S/C20H22O/c21-19-4-2-16-8-18(3-1-17(16)9-19)20-10-13-5-14(11-20)7-15(6-13)12-20/h1-4,8-9,13-15,21H,5-7,10-12H2
InChIKeyXZRBITOOYQYBPN-UHFFFAOYSA-N
MW278.40 g/mol
LogP5.01
Rot. Bonds1

About 6-(1-adamantyl)naphthalen-2-ol

6-(1-adamantyl)naphthalen-2-ol (PubChem CID 624183) has the molecular formula C20H22O and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-(1-adamantyl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(1-adamantyl)naphthalen-2-ol
PubChem CID624183
Molecular FormulaC20H22O
Molecular Weight278.40 g/mol
Exact Mass278.17
IUPAC Name6-(1-adamantyl)naphthalen-2-ol
SMILESOc1ccc2cc(C34CC5CC(CC(C5)C3)C4)ccc2c1
InChIInChI=1S/C20H22O/c21-19-4-2-16-8-18(3-1-17(16)9-19)20-10-13-5-14(11-20)7-15(6-13)12-20/h1-4,8-9,13-15,21H,5-7,10-12H2
InChIKeyXZRBITOOYQYBPN-UHFFFAOYSA-N
XLogP5.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.40
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1-adamantyl)naphthalen-2-ol?
The IUPAC name of 6-(1-adamantyl)naphthalen-2-ol (CID 624183) is 6-(1-adamantyl)naphthalen-2-ol.
What is the SMILES notation for 6-(1-adamantyl)naphthalen-2-ol?
The canonical SMILES for 6-(1-adamantyl)naphthalen-2-ol is Oc1ccc2cc(C34CC5CC(CC(C5)C3)C4)ccc2c1.
What is the InChIKey of 6-(1-adamantyl)naphthalen-2-ol?
The InChIKey is XZRBITOOYQYBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c21-19-4-2-16-8-18(3-1-17(16)9-19)20-10-13-5-14(11-20)7-15(6-13)12-20/h1-4,8-9,13-15,21H,5-7,10-12H2.
What are the key properties of 6-(1-adamantyl)naphthalen-2-ol?
6-(1-adamantyl)naphthalen-2-ol has a molecular weight of 278.40 g/mol, XLogP of 5.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantyl)naphthalen-2-ol is sourced from PubChem (CID 624183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).