1-(2-phenylmethoxypropoxy)adamantane

C20H28O2 — CID 71174959

IUPAC1-(2-phenylmethoxypropoxy)adamantane
SMILESCC(COC12CC3CC(CC(C3)C1)C2)OCc1ccccc1
InChIInChI=1S/C20H28O2/c1-15(21-14-16-5-3-2-4-6-16)13-22-20-10-17-7-18(11-20)9-19(8-17)12-20/h2-6,15,17-19H,7-14H2,1H3
InChIKeyASGPJOQGMOERDU-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.58
Rot. Bonds6

About 1-(2-phenylmethoxypropoxy)adamantane

1-(2-phenylmethoxypropoxy)adamantane (PubChem CID 71174959) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 1-(2-phenylmethoxypropoxy)adamantane.

Molecular Properties

Compound Name1-(2-phenylmethoxypropoxy)adamantane
PubChem CID71174959
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name1-(2-phenylmethoxypropoxy)adamantane
SMILESCC(COC12CC3CC(CC(C3)C1)C2)OCc1ccccc1
InChIInChI=1S/C20H28O2/c1-15(21-14-16-5-3-2-4-6-16)13-22-20-10-17-7-18(11-20)9-19(8-17)12-20/h2-6,15,17-19H,7-14H2,1H3
InChIKeyASGPJOQGMOERDU-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmethoxypropoxy)adamantane?
The IUPAC name of 1-(2-phenylmethoxypropoxy)adamantane (CID 71174959) is 1-(2-phenylmethoxypropoxy)adamantane.
What is the SMILES notation for 1-(2-phenylmethoxypropoxy)adamantane?
The canonical SMILES for 1-(2-phenylmethoxypropoxy)adamantane is CC(COC12CC3CC(CC(C3)C1)C2)OCc1ccccc1.
What is the InChIKey of 1-(2-phenylmethoxypropoxy)adamantane?
The InChIKey is ASGPJOQGMOERDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1-15(21-14-16-5-3-2-4-6-16)13-22-20-10-17-7-18(11-20)9-19(8-17)12-20/h2-6,15,17-19H,7-14H2,1H3.
What are the key properties of 1-(2-phenylmethoxypropoxy)adamantane?
1-(2-phenylmethoxypropoxy)adamantane has a molecular weight of 300.44 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmethoxypropoxy)adamantane is sourced from PubChem (CID 71174959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).