1-(2-phenylethenoxy)adamantane

C18H22O — CID 67017511

IUPAC1-(2-phenylethenoxy)adamantane
SMILESC(=Cc1ccccc1)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22O/c1-2-4-14(5-3-1)6-7-19-18-11-15-8-16(12-18)10-17(9-15)13-18/h1-7,15-17H,8-13H2
InChIKeyOHTJCSUYTBPOFG-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.64
Rot. Bonds3

About 1-(2-phenylethenoxy)adamantane

1-(2-phenylethenoxy)adamantane (PubChem CID 67017511) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2-phenylethenoxy)adamantane.

Molecular Properties

Compound Name1-(2-phenylethenoxy)adamantane
PubChem CID67017511
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-(2-phenylethenoxy)adamantane
SMILESC(=Cc1ccccc1)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22O/c1-2-4-14(5-3-1)6-7-19-18-11-15-8-16(12-18)10-17(9-15)13-18/h1-7,15-17H,8-13H2
InChIKeyOHTJCSUYTBPOFG-UHFFFAOYSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.64
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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Related Compounds

1-[(Z)-4-phenylbut-1-enoxy]adamantane
CID 134879400
1-(1-phenylprop-1-en-2-yloxy)adamantane
CID 69415188
(2E)-1-(1-adamantyl)-5-phenylpenta-2,4-dien-1-one
CID 20763924
(E,2S)-2-(1-adamantyl)-4-phenylbut-3-en-1-ol
CID 59733595
1-adamantyl benzoate
CID 2753105
2-phenylethenyl hypochlorite
CID 174846966
aniline;bis(1-adamantyloxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 102602974
3-tricyclo[4.3.1.13,8]undecanylmethyl 3-phenylprop-2-enoate
CID 57365969
2-cyclohexyloxyethenylbenzene
CID 67017506
1,3,5-tris(2-phenylethenyl)-7-[3-(2-phenylethenyl)-1-adamantyl]adamantane
CID 90723317
CID 135062679
CID 135062679
N-(2-phenylethenoxy)formamide
CID 173336049

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethenoxy)adamantane?
The IUPAC name of 1-(2-phenylethenoxy)adamantane (CID 67017511) is 1-(2-phenylethenoxy)adamantane.
What is the SMILES notation for 1-(2-phenylethenoxy)adamantane?
The canonical SMILES for 1-(2-phenylethenoxy)adamantane is C(=Cc1ccccc1)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(2-phenylethenoxy)adamantane?
The InChIKey is OHTJCSUYTBPOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-2-4-14(5-3-1)6-7-19-18-11-15-8-16(12-18)10-17(9-15)13-18/h1-7,15-17H,8-13H2.
What are the key properties of 1-(2-phenylethenoxy)adamantane?
1-(2-phenylethenoxy)adamantane has a molecular weight of 254.37 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethenoxy)adamantane is sourced from PubChem (CID 67017511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).