(1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane

C24H28O — CID 12835312

IUPAC(1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane
SMILESCC(C)(C)OC1[C@H]2CC[C@@H]1[C@@H]1[C@H]2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28O/c1-23(2,3)25-22-18-14-15-19(22)21-20(18)24(21,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-22H,14-15H2,1-3H3/t18-,19+,20-,21+,22?
InChIKeyMJMFUVUBVUTXIF-SROUJUHQSA-N
MW332.49 g/mol
LogP5.44
Rot. Bonds3

About (1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane

(1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane (PubChem CID 12835312) has the molecular formula C24H28O and a molecular weight of 332.49 g/mol. Its IUPAC name is (1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name(1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane
PubChem CID12835312
Molecular FormulaC24H28O
Molecular Weight332.49 g/mol
Exact Mass332.21
IUPAC Name(1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane
SMILESCC(C)(C)OC1[C@H]2CC[C@@H]1[C@@H]1[C@H]2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H28O/c1-23(2,3)25-22-18-14-15-19(22)21-20(18)24(21,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-22H,14-15H2,1-3H3/t18-,19+,20-,21+,22?
InChIKeyMJMFUVUBVUTXIF-SROUJUHQSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572
trans-dimethyl (1R,2R)-3,3-diphenylcyclopropane-1,2-dicarboxylate
CID 882276
(1R,4S,5R,8S)-9,10,11,12-tetraphenyltetracyclo[6.4.0.04,12.05,9]dodec-10-ene
CID 177493569
3-[(2-methylpropan-2-yl)oxy]-1-phenylazetidine
CID 153490764
methyl (1R,2S,3R,5S,7R,8S,9S)-5-phenyl-4-oxatetracyclo[5.4.0.02,5.03,9]undecane-8-carboxylate
CID 71602021
3-(2,2-dimethylpropyl)-3-methyl-1-phenylcyclobutan-1-ol
CID 100998579
N-methoxy-2,2,3-triphenylcyclopropan-1-amine
CID 87103690
4-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259718
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262
3,3-dicyclopropylbut-1-enylbenzene
CID 173296746
6-[tert-butyl(dimethyl)silyl]oxy-1-phenylcyclodecan-1-ol
CID 22319875
tert-butyl N-(4-hydroxy-4-phenylcyclohexyl)carbamate
CID 142554256

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane?
The IUPAC name of (1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane (CID 12835312) is (1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane.
What is the SMILES notation for (1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane?
The canonical SMILES for (1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane is CC(C)(C)OC1[C@H]2CC[C@@H]1[C@@H]1[C@H]2C1(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane?
The InChIKey is MJMFUVUBVUTXIF-SROUJUHQSA-N. The full InChI is InChI=1S/C24H28O/c1-23(2,3)25-22-18-14-15-19(22)21-20(18)24(21,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-22H,14-15H2,1-3H3/t18-,19+,20-,21+,22?.
What are the key properties of (1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane?
(1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane has a molecular weight of 332.49 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R,5S)-8-[(2-methylpropan-2-yl)oxy]-3,3-diphenyltricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 12835312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).