1-(5-methoxy-2-phenylmethoxyphenyl)adamantane

C24H28O2 — CID 174682708

IUPAC1-(5-methoxy-2-phenylmethoxyphenyl)adamantane
SMILESCOc1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H28O2/c1-25-21-7-8-23(26-16-17-5-3-2-4-6-17)22(12-21)24-13-18-9-19(14-24)11-20(10-18)15-24/h2-8,12,18-20H,9-11,13-16H2,1H3
InChIKeyMOJZSEAKFABNJY-UHFFFAOYSA-N
MW348.49 g/mol
LogP5.74
Rot. Bonds5

About 1-(5-methoxy-2-phenylmethoxyphenyl)adamantane

1-(5-methoxy-2-phenylmethoxyphenyl)adamantane (PubChem CID 174682708) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 1-(5-methoxy-2-phenylmethoxyphenyl)adamantane.

Molecular Properties

Compound Name1-(5-methoxy-2-phenylmethoxyphenyl)adamantane
PubChem CID174682708
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name1-(5-methoxy-2-phenylmethoxyphenyl)adamantane
SMILESCOc1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C24H28O2/c1-25-21-7-8-23(26-16-17-5-3-2-4-6-17)22(12-21)24-13-18-9-19(14-24)11-20(10-18)15-24/h2-8,12,18-20H,9-11,13-16H2,1H3
InChIKeyMOJZSEAKFABNJY-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-phenylmethoxyphenyl)adamantane?
The IUPAC name of 1-(5-methoxy-2-phenylmethoxyphenyl)adamantane (CID 174682708) is 1-(5-methoxy-2-phenylmethoxyphenyl)adamantane.
What is the SMILES notation for 1-(5-methoxy-2-phenylmethoxyphenyl)adamantane?
The canonical SMILES for 1-(5-methoxy-2-phenylmethoxyphenyl)adamantane is COc1ccc(OCc2ccccc2)c(C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 1-(5-methoxy-2-phenylmethoxyphenyl)adamantane?
The InChIKey is MOJZSEAKFABNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c1-25-21-7-8-23(26-16-17-5-3-2-4-6-17)22(12-21)24-13-18-9-19(14-24)11-20(10-18)15-24/h2-8,12,18-20H,9-11,13-16H2,1H3.
What are the key properties of 1-(5-methoxy-2-phenylmethoxyphenyl)adamantane?
1-(5-methoxy-2-phenylmethoxyphenyl)adamantane has a molecular weight of 348.49 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-phenylmethoxyphenyl)adamantane is sourced from PubChem (CID 174682708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).