2-(2-methoxy-2-adamantyl)phenol

C17H22O2 — CID 44623365

IUPAC2-(2-methoxy-2-adamantyl)phenol
SMILESCOC1(c2ccccc2O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22O2/c1-19-17(15-4-2-3-5-16(15)18)13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,18H,6-10H2,1H3
InChIKeyHRHJVLVJDIMUIP-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.69
Rot. Bonds2

About 2-(2-methoxy-2-adamantyl)phenol

2-(2-methoxy-2-adamantyl)phenol (PubChem CID 44623365) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(2-methoxy-2-adamantyl)phenol.

Molecular Properties

Compound Name2-(2-methoxy-2-adamantyl)phenol
PubChem CID44623365
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name2-(2-methoxy-2-adamantyl)phenol
SMILESCOC1(c2ccccc2O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22O2/c1-19-17(15-4-2-3-5-16(15)18)13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,18H,6-10H2,1H3
InChIKeyHRHJVLVJDIMUIP-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-adamantyl)phenol?
The IUPAC name of 2-(2-methoxy-2-adamantyl)phenol (CID 44623365) is 2-(2-methoxy-2-adamantyl)phenol.
What is the SMILES notation for 2-(2-methoxy-2-adamantyl)phenol?
The canonical SMILES for 2-(2-methoxy-2-adamantyl)phenol is COC1(c2ccccc2O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-methoxy-2-adamantyl)phenol?
The InChIKey is HRHJVLVJDIMUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-19-17(15-4-2-3-5-16(15)18)13-7-11-6-12(9-13)10-14(17)8-11/h2-5,11-14,18H,6-10H2,1H3.
What are the key properties of 2-(2-methoxy-2-adamantyl)phenol?
2-(2-methoxy-2-adamantyl)phenol has a molecular weight of 258.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-adamantyl)phenol is sourced from PubChem (CID 44623365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).