2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane

C18H26 — CID 169322267

IUPAC2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane
SMILESCc1ccc(C(C)(C)C)c(C2CC3CCC2C3)c1
InChIInChI=1S/C18H26/c1-12-5-8-17(18(2,3)4)16(9-12)15-11-13-6-7-14(15)10-13/h5,8-9,13-15H,6-7,10-11H2,1-4H3
InChIKeyZOSRSNNLUWZJBC-UHFFFAOYSA-N
MW242.41 g/mol
LogP5.20
Rot. Bonds1

About 2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane

2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane (PubChem CID 169322267) has the molecular formula C18H26 and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane
PubChem CID169322267
Molecular FormulaC18H26
Molecular Weight242.41 g/mol
Exact Mass242.20
IUPAC Name2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane
SMILESCc1ccc(C(C)(C)C)c(C2CC3CCC2C3)c1
InChIInChI=1S/C18H26/c1-12-5-8-17(18(2,3)4)16(9-12)15-11-13-6-7-14(15)10-13/h5,8-9,13-15H,6-7,10-11H2,1-4H3
InChIKeyZOSRSNNLUWZJBC-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.41
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,4-dimethylphenyl)bicyclo[2.2.1]heptane
CID 15514590
2-(2-tert-butyl-3-methylphenyl)bicyclo[2.2.1]heptane
CID 169322208
1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene
CID 153281935
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
(1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane
CID 101176008
1-tert-butyl-2-methylbenzene;1-cyclobutyl-2-methylbenzene;1-cyclohexyl-2-methylbenzene;1-cyclopentyl-2-methylbenzene;2-(2-methylphenyl)bicyclo[2.2.1]heptane;1-methyl-2-propan-2-ylbenzene
CID 161369431
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-methylthiophene
CID 121002337
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]benzene-1,4-diol
CID 11870564
2-[2-bromo-2-(2,5-dimethylphenyl)ethyl]bicyclo[2.2.1]heptane
CID 55198191
2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline
CID 86079692
4-(2-bicyclo[2.2.1]heptanyl)-2-(4-tert-butylphenyl)pyridine
CID 140722904
3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diol
CID 92980858

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane (CID 169322267) is 2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane is Cc1ccc(C(C)(C)C)c(C2CC3CCC2C3)c1.
What is the InChIKey of 2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane?
The InChIKey is ZOSRSNNLUWZJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26/c1-12-5-8-17(18(2,3)4)16(9-12)15-11-13-6-7-14(15)10-13/h5,8-9,13-15H,6-7,10-11H2,1-4H3.
What are the key properties of 2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane?
2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane has a molecular weight of 242.41 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 169322267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).