1-benzyl-2-methoxyadamantane

C18H24O — CID 133064939

IUPAC1-benzyl-2-methoxyadamantane
SMILESCOC1C2CC3CC(C2)CC1(Cc1ccccc1)C3
InChIInChI=1S/C18H24O/c1-19-17-16-8-14-7-15(9-16)12-18(17,11-14)10-13-5-3-2-4-6-13/h2-6,14-17H,7-12H2,1H3
InChIKeyJOMQBNGBARINJG-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.07
Rot. Bonds3

About 1-benzyl-2-methoxyadamantane

1-benzyl-2-methoxyadamantane (PubChem CID 133064939) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-benzyl-2-methoxyadamantane.

Molecular Properties

Compound Name1-benzyl-2-methoxyadamantane
PubChem CID133064939
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1-benzyl-2-methoxyadamantane
SMILESCOC1C2CC3CC(C2)CC1(Cc1ccccc1)C3
InChIInChI=1S/C18H24O/c1-19-17-16-8-14-7-15(9-16)12-18(17,11-14)10-13-5-3-2-4-6-13/h2-6,14-17H,7-12H2,1H3
InChIKeyJOMQBNGBARINJG-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-1-phenyladamantane
CID 133063988
2-benzyl-3-methoxytricyclo[3.3.1.03,7]nonane
CID 71123872
1-[(Z)-4-phenylbut-1-enoxy]adamantane
CID 134879400
[(2S,7S)-1-carbamoyl-2-adamantyl] N-benzylcarbamate
CID 91600433
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(1-benzyl-3,5-dimethoxycyclohexyl)carbamic acid
CID 174462684
methyl (2Z)-2-(1-adamantyl)-2-phenylmethoxyiminoacetate
CID 15505129
1-adamantyl-(3-benzyl-1-adamantyl)phosphane
CID 91006750
(5S,7R)-1-(hydroxymethyl)adamantan-2-ol
CID 102508156
(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol
CID 124583912
bis(1-adamantyl)-benzylphosphane;palladium
CID 87886000
[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475475

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-methoxyadamantane?
The IUPAC name of 1-benzyl-2-methoxyadamantane (CID 133064939) is 1-benzyl-2-methoxyadamantane.
What is the SMILES notation for 1-benzyl-2-methoxyadamantane?
The canonical SMILES for 1-benzyl-2-methoxyadamantane is COC1C2CC3CC(C2)CC1(Cc1ccccc1)C3.
What is the InChIKey of 1-benzyl-2-methoxyadamantane?
The InChIKey is JOMQBNGBARINJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-19-17-16-8-14-7-15(9-16)12-18(17,11-14)10-13-5-3-2-4-6-13/h2-6,14-17H,7-12H2,1H3.
What are the key properties of 1-benzyl-2-methoxyadamantane?
1-benzyl-2-methoxyadamantane has a molecular weight of 256.39 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-methoxyadamantane is sourced from PubChem (CID 133064939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).