2,2-bis(2-methylphenyl)adamantane

C24H28 — CID 173019574

IUPAC2,2-bis(2-methylphenyl)adamantane
SMILESCc1ccccc1C1(c2ccccc2C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H28/c1-16-7-3-5-9-22(16)24(23-10-6-4-8-17(23)2)20-12-18-11-19(14-20)15-21(24)13-18/h3-10,18-21H,11-15H2,1-2H3
InChIKeyUAWSHSZZIBXIKW-UHFFFAOYSA-N
MW316.49 g/mol
LogP6.05
Rot. Bonds2

About 2,2-bis(2-methylphenyl)adamantane

2,2-bis(2-methylphenyl)adamantane (PubChem CID 173019574) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 2,2-bis(2-methylphenyl)adamantane.

Molecular Properties

Compound Name2,2-bis(2-methylphenyl)adamantane
PubChem CID173019574
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name2,2-bis(2-methylphenyl)adamantane
SMILESCc1ccccc1C1(c2ccccc2C)C2CC3CC(C2)CC1C3
InChIInChI=1S/C24H28/c1-16-7-3-5-9-22(16)24(23-10-6-4-8-17(23)2)20-12-18-11-19(14-20)15-21(24)13-18/h3-10,18-21H,11-15H2,1-2H3
InChIKeyUAWSHSZZIBXIKW-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2-methylphenyl)adamantan-2-ol
CID 14198294
10-iodospiro[acridine-9,2'-adamantane]
CID 163688749
4-[2-(9H-fluoren-4-yl)-2-adamantyl]-9H-fluorene
CID 163498832
spiro[adamantane-2,12'-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene]
CID 162698475
N-spiro[adamantane-2,9'-fluorene]-4'-ylspiro[adamantane-2,9'-fluorene]-4'-amine
CID 166050353
2-(2-aminophenyl)adamantane-2-carbonitrile
CID 4658712
2-naphthalen-1-yl-2-phenyladamantane
CID 162698485
2'-bromospiro[adamantane-2,9'-xanthene]
CID 169099359
2-(10',10'-dimethylspiro[adamantane-2,9'-anthracene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166017889
2-(2-methoxy-2-adamantyl)phenol
CID 44623365
9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol
CID 10878971
2'-chloro-4'-phenylspiro[adamantane-2,9'-fluorene]
CID 168798512

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-methylphenyl)adamantane?
The IUPAC name of 2,2-bis(2-methylphenyl)adamantane (CID 173019574) is 2,2-bis(2-methylphenyl)adamantane.
What is the SMILES notation for 2,2-bis(2-methylphenyl)adamantane?
The canonical SMILES for 2,2-bis(2-methylphenyl)adamantane is Cc1ccccc1C1(c2ccccc2C)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2,2-bis(2-methylphenyl)adamantane?
The InChIKey is UAWSHSZZIBXIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28/c1-16-7-3-5-9-22(16)24(23-10-6-4-8-17(23)2)20-12-18-11-19(14-20)15-21(24)13-18/h3-10,18-21H,11-15H2,1-2H3.
What are the key properties of 2,2-bis(2-methylphenyl)adamantane?
2,2-bis(2-methylphenyl)adamantane has a molecular weight of 316.49 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-methylphenyl)adamantane is sourced from PubChem (CID 173019574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).