2-phenyladamantane

C16H20 — CID 527341

IUPAC2-phenyladamantane
SMILESc1ccc(C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C16H20/c1-2-4-13(5-3-1)16-14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-16H,6-10H2
InChIKeyMWQZYLIXDPNHFG-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.23
Rot. Bonds1

About 2-phenyladamantane

2-phenyladamantane (PubChem CID 527341) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-phenyladamantane.

Molecular Properties

Compound Name2-phenyladamantane
PubChem CID527341
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name2-phenyladamantane
SMILESc1ccc(C2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C16H20/c1-2-4-13(5-3-1)16-14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-16H,6-10H2
InChIKeyMWQZYLIXDPNHFG-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Benzo[a]pyrene
CID 2336
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Dibenzo(a,l)pyrene
CID 9119
DIBENZ(a,h)ANTHRACENE
CID 5889
Dibenzo(a,i)pyrene
CID 9106
Dibenzo(a,h)pyrene
CID 9108
DIBENZO(a,e)PYRENE
CID 9126
Perylene
CID 9142
Benzo(B)Triphenylene
CID 9164
Coronene
CID 9115
Anthanthrene
CID 9118

Frequently Asked Questions

What is the IUPAC name of 2-phenyladamantane?
The IUPAC name of 2-phenyladamantane (CID 527341) is 2-phenyladamantane.
What is the SMILES notation for 2-phenyladamantane?
The canonical SMILES for 2-phenyladamantane is c1ccc(C2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of 2-phenyladamantane?
The InChIKey is MWQZYLIXDPNHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-2-4-13(5-3-1)16-14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-16H,6-10H2.
What are the key properties of 2-phenyladamantane?
2-phenyladamantane has a molecular weight of 212.34 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyladamantane is sourced from PubChem (CID 527341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).