2-methoxy-1-phenyladamantane

C17H22O — CID 133063988

IUPAC2-methoxy-1-phenyladamantane
SMILESCOC1C2CC3CC(C2)CC1(c1ccccc1)C3
InChIInChI=1S/C17H22O/c1-18-16-14-8-12-7-13(9-14)11-17(16,10-12)15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3
InChIKeyZMUZAXHRAYXMRT-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.78
Rot. Bonds2

About 2-methoxy-1-phenyladamantane

2-methoxy-1-phenyladamantane (PubChem CID 133063988) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-methoxy-1-phenyladamantane.

Molecular Properties

Compound Name2-methoxy-1-phenyladamantane
PubChem CID133063988
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name2-methoxy-1-phenyladamantane
SMILESCOC1C2CC3CC(C2)CC1(c1ccccc1)C3
InChIInChI=1S/C17H22O/c1-18-16-14-8-12-7-13(9-14)11-17(16,10-12)15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3
InChIKeyZMUZAXHRAYXMRT-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-phenyladamantane?
The IUPAC name of 2-methoxy-1-phenyladamantane (CID 133063988) is 2-methoxy-1-phenyladamantane.
What is the SMILES notation for 2-methoxy-1-phenyladamantane?
The canonical SMILES for 2-methoxy-1-phenyladamantane is COC1C2CC3CC(C2)CC1(c1ccccc1)C3.
What is the InChIKey of 2-methoxy-1-phenyladamantane?
The InChIKey is ZMUZAXHRAYXMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-18-16-14-8-12-7-13(9-14)11-17(16,10-12)15-5-3-2-4-6-15/h2-6,12-14,16H,7-11H2,1H3.
What are the key properties of 2-methoxy-1-phenyladamantane?
2-methoxy-1-phenyladamantane has a molecular weight of 242.36 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-phenyladamantane is sourced from PubChem (CID 133063988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).