2-[methoxy(phenyl)methyl]adamantane

C18H24O — CID 86199572

IUPAC2-[methoxy(phenyl)methyl]adamantane
SMILESCOC(c1ccccc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24O/c1-19-18(14-5-3-2-4-6-14)17-15-8-12-7-13(10-15)11-16(17)9-12/h2-6,12-13,15-18H,7-11H2,1H3
InChIKeySMQBSMSZCBPHLY-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.45
Rot. Bonds3

About 2-[methoxy(phenyl)methyl]adamantane

2-[methoxy(phenyl)methyl]adamantane (PubChem CID 86199572) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[methoxy(phenyl)methyl]adamantane.

Molecular Properties

Compound Name2-[methoxy(phenyl)methyl]adamantane
PubChem CID86199572
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name2-[methoxy(phenyl)methyl]adamantane
SMILESCOC(c1ccccc1)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H24O/c1-19-18(14-5-3-2-4-6-14)17-15-8-12-7-13(10-15)11-16(17)9-12/h2-6,12-13,15-18H,7-11H2,1H3
InChIKeySMQBSMSZCBPHLY-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-adamantyl(phenyl)methanamine
CID 81096130
(1R)-1-(2-adamantyl)-N-[(1R)-1-phenylethyl]ethanamine
CID 7573924
N-[2-adamantyl(phenyl)methyl]ethanamine
CID 81098673
(2S)-2-[(R)-methoxy(phenyl)methyl]cyclopentan-1-one
CID 101013744
N-(1-phenylethyl)adamantan-2-amine
CID 43405877
N-[(1S)-1-phenylethyl]adamantan-2-amine
CID 81350698
(1R)-N-(2-adamantylmethyl)-1-phenylethanamine
CID 134991731
2-(2-adamantyl)-2-phenoxyacetamide
CID 67285468
4-[(R)-methoxy(phenyl)methyl]cycloheptan-1-one
CID 11773029
2-adamantyl-(3-ethoxyphenyl)methanol
CID 115827511
ethyl 2-(2-adamantyl)-3-oxo-3-phenylpropanoate
CID 23649476
2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid
CID 174731482

Frequently Asked Questions

What is the IUPAC name of 2-[methoxy(phenyl)methyl]adamantane?
The IUPAC name of 2-[methoxy(phenyl)methyl]adamantane (CID 86199572) is 2-[methoxy(phenyl)methyl]adamantane.
What is the SMILES notation for 2-[methoxy(phenyl)methyl]adamantane?
The canonical SMILES for 2-[methoxy(phenyl)methyl]adamantane is COC(c1ccccc1)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-[methoxy(phenyl)methyl]adamantane?
The InChIKey is SMQBSMSZCBPHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-19-18(14-5-3-2-4-6-14)17-15-8-12-7-13(10-15)11-16(17)9-12/h2-6,12-13,15-18H,7-11H2,1H3.
What are the key properties of 2-[methoxy(phenyl)methyl]adamantane?
2-[methoxy(phenyl)methyl]adamantane has a molecular weight of 256.39 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methoxy(phenyl)methyl]adamantane is sourced from PubChem (CID 86199572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).