1-(1-phenylprop-1-en-2-yloxy)adamantane

C19H24O — CID 69415188

IUPAC1-(1-phenylprop-1-en-2-yloxy)adamantane
SMILESCC(=Cc1ccccc1)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24O/c1-14(7-15-5-3-2-4-6-15)20-19-11-16-8-17(12-19)10-18(9-16)13-19/h2-7,16-18H,8-13H2,1H3
InChIKeyRECIOOGAZSEJNF-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.03
Rot. Bonds3

About 1-(1-phenylprop-1-en-2-yloxy)adamantane

1-(1-phenylprop-1-en-2-yloxy)adamantane (PubChem CID 69415188) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(1-phenylprop-1-en-2-yloxy)adamantane.

Molecular Properties

Compound Name1-(1-phenylprop-1-en-2-yloxy)adamantane
PubChem CID69415188
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-(1-phenylprop-1-en-2-yloxy)adamantane
SMILESCC(=Cc1ccccc1)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24O/c1-14(7-15-5-3-2-4-6-15)20-19-11-16-8-17(12-19)10-18(9-16)13-19/h2-7,16-18H,8-13H2,1H3
InChIKeyRECIOOGAZSEJNF-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylprop-1-en-2-yloxy)adamantane?
The IUPAC name of 1-(1-phenylprop-1-en-2-yloxy)adamantane (CID 69415188) is 1-(1-phenylprop-1-en-2-yloxy)adamantane.
What is the SMILES notation for 1-(1-phenylprop-1-en-2-yloxy)adamantane?
The canonical SMILES for 1-(1-phenylprop-1-en-2-yloxy)adamantane is CC(=Cc1ccccc1)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-phenylprop-1-en-2-yloxy)adamantane?
The InChIKey is RECIOOGAZSEJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-14(7-15-5-3-2-4-6-15)20-19-11-16-8-17(12-19)10-18(9-16)13-19/h2-7,16-18H,8-13H2,1H3.
What are the key properties of 1-(1-phenylprop-1-en-2-yloxy)adamantane?
1-(1-phenylprop-1-en-2-yloxy)adamantane has a molecular weight of 268.40 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylprop-1-en-2-yloxy)adamantane is sourced from PubChem (CID 69415188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).