6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol

C22H24O2 — CID 14645568

IUPAC6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol
SMILESCOC(=C1C2CC3CC(C2)CC1C3)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C22H24O2/c1-24-22(17-3-2-16-12-20(23)5-4-15(16)11-17)21-18-7-13-6-14(9-18)10-19(21)8-13/h2-5,11-14,18-19,23H,6-10H2,1H3/b22-21-
InChIKeyALVKYOXYMCWKGL-DQRAZIAOSA-N
MW320.43 g/mol
LogP5.36
Rot. Bonds2

About 6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol

6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol (PubChem CID 14645568) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is 6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol
PubChem CID14645568
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Name6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol
SMILESCOC(=C1C2CC3CC(C2)CC1C3)c1ccc2cc(O)ccc2c1
InChIInChI=1S/C22H24O2/c1-24-22(17-3-2-16-12-20(23)5-4-15(16)11-17)21-18-7-13-6-14(9-18)10-19(21)8-13/h2-5,11-14,18-19,23H,6-10H2,1H3/b22-21-
InChIKeyALVKYOXYMCWKGL-DQRAZIAOSA-N
XLogP5.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol?
The IUPAC name of 6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol (CID 14645568) is 6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol.
What is the SMILES notation for 6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol?
The canonical SMILES for 6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol is COC(=C1C2CC3CC(C2)CC1C3)c1ccc2cc(O)ccc2c1.
What is the InChIKey of 6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol?
The InChIKey is ALVKYOXYMCWKGL-DQRAZIAOSA-N. The full InChI is InChI=1S/C22H24O2/c1-24-22(17-3-2-16-12-20(23)5-4-15(16)11-17)21-18-7-13-6-14(9-18)10-19(21)8-13/h2-5,11-14,18-19,23H,6-10H2,1H3/b22-21-.
What are the key properties of 6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol?
6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol has a molecular weight of 320.43 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-adamantylidene(methoxy)methyl]naphthalen-2-ol is sourced from PubChem (CID 14645568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).