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

C21H24O2 — CID 59052390

IUPAC6-(2-methoxy-2-adamantyl)naphthalen-2-ol
SMILESCOC1(c2ccc3cc(O)ccc3c2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H24O2/c1-23-21(18-7-13-6-14(9-18)10-19(21)8-13)17-4-2-16-12-20(22)5-3-15(16)11-17/h2-5,11-14,18-19,22H,6-10H2,1H3
InChIKeyQDKYOZXBFSUVIQ-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.84
Rot. Bonds2

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

6-(2-methoxy-2-adamantyl)naphthalen-2-ol (PubChem CID 59052390) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 6-(2-methoxy-2-adamantyl)naphthalen-2-ol.

Molecular Properties

Compound Name6-(2-methoxy-2-adamantyl)naphthalen-2-ol
PubChem CID59052390
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name6-(2-methoxy-2-adamantyl)naphthalen-2-ol
SMILESCOC1(c2ccc3cc(O)ccc3c2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C21H24O2/c1-23-21(18-7-13-6-14(9-18)10-19(21)8-13)17-4-2-16-12-20(22)5-3-15(16)11-17/h2-5,11-14,18-19,22H,6-10H2,1H3
InChIKeyQDKYOZXBFSUVIQ-UHFFFAOYSA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-2-adamantyl)naphthalen-2-ol?
The IUPAC name of 6-(2-methoxy-2-adamantyl)naphthalen-2-ol (CID 59052390) is 6-(2-methoxy-2-adamantyl)naphthalen-2-ol.
What is the SMILES notation for 6-(2-methoxy-2-adamantyl)naphthalen-2-ol?
The canonical SMILES for 6-(2-methoxy-2-adamantyl)naphthalen-2-ol is COC1(c2ccc3cc(O)ccc3c2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 6-(2-methoxy-2-adamantyl)naphthalen-2-ol?
The InChIKey is QDKYOZXBFSUVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-23-21(18-7-13-6-14(9-18)10-19(21)8-13)17-4-2-16-12-20(22)5-3-15(16)11-17/h2-5,11-14,18-19,22H,6-10H2,1H3.
What are the key properties of 6-(2-methoxy-2-adamantyl)naphthalen-2-ol?
6-(2-methoxy-2-adamantyl)naphthalen-2-ol has a molecular weight of 308.42 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-2-adamantyl)naphthalen-2-ol is sourced from PubChem (CID 59052390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).