1-phenyladamantane

C16H20 — CID 522696

IUPAC1-phenyladamantane
SMILESc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C16H20/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14H,6-11H2
InChIKeyXACJBFHSZJWBBP-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.15
Rot. Bonds1

About 1-phenyladamantane

1-phenyladamantane (PubChem CID 522696) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-phenyladamantane.

Molecular Properties

Compound Name1-phenyladamantane
PubChem CID522696
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-phenyladamantane
SMILESc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C16H20/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14H,6-11H2
InChIKeyXACJBFHSZJWBBP-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Triptycene
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1,1,1-Triphenylethane
CID 78926
1,1'-(1,1-Dimethyl-3-methylene-1,3-propanediyl)bisbenzene
CID 80715
p-Quaterphenyl
CID 8677
Quaterphenyl
CID 14422
Tetraphenylethylene
CID 69437
Benzene, 1,1'-(1,1,2,2-tetramethyl-1,2-ethanediyl)bis-
CID 74681
1,3,5-Triphenylbenzene
CID 11930

Frequently Asked Questions

What is the IUPAC name of 1-phenyladamantane?
The IUPAC name of 1-phenyladamantane (CID 522696) is 1-phenyladamantane.
What is the SMILES notation for 1-phenyladamantane?
The canonical SMILES for 1-phenyladamantane is c1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-phenyladamantane?
The InChIKey is XACJBFHSZJWBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-2-4-15(5-3-1)16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14H,6-11H2.
What are the key properties of 1-phenyladamantane?
1-phenyladamantane has a molecular weight of 212.34 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyladamantane is sourced from PubChem (CID 522696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).