(1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one

C18H22O2 — CID 10612124

IUPAC(1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one
SMILESCOC1(C)C[C@@]2(C)C(=O)C[C@@H]1C=C2c1ccccc1C
InChIInChI=1S/C18H22O2/c1-12-7-5-6-8-14(12)15-9-13-10-16(19)17(15,2)11-18(13,3)20-4/h5-9,13H,10-11H2,1-4H3/t13-,17+,18?/m0/s1
InChIKeyJDDJIIWIFMPQTJ-DQAFQZJZSA-N
MW270.37 g/mol
LogP3.78
Rot. Bonds2

About (1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one

(1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one (PubChem CID 10612124) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one.

Molecular Properties

Compound Name(1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one
PubChem CID10612124
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one
SMILESCOC1(C)C[C@@]2(C)C(=O)C[C@@H]1C=C2c1ccccc1C
InChIInChI=1S/C18H22O2/c1-12-7-5-6-8-14(12)15-9-13-10-16(19)17(15,2)11-18(13,3)20-4/h5-9,13H,10-11H2,1-4H3/t13-,17+,18?/m0/s1
InChIKeyJDDJIIWIFMPQTJ-DQAFQZJZSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one
CID 131854134
(4S)-4-methoxy-2-(2-methylphenyl)cyclopent-2-en-1-one
CID 101198630
1-methyl-2-[1-methyl-2-(2-methylphenyl)cyclobut-2-en-1-yl]benzene
CID 88722468
9,9-dimethyl-6-(2-methylphenyl)-10,11-dihydro-8H-benzo[b][1,4]benzodiazepin-7-one
CID 13499133
3,3,4-trimethyl-2H-inden-1-one
CID 22924740
methyl 2,7,7-trimethyl-4-[4-(2-methylphenyl)phenyl]-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 71462736
3,6-bis(2-methylphenyl)-1,2,4,5-tetrazine;ethane
CID 145320903
4a-methoxy-5-methyl-1,9a-dihydrofluorene-2,9-dione
CID 102105166
3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione
CID 53254280
methyl 7-methyl-3-oxo-1,2-dihydroindene-1-carboxylate
CID 121009125
(3S,4aS,10bR)-3-tert-butyl-3,10,10b-trimethyl-4a,5-dihydrobenzo[h][1,2,4]benzotrioxin-6-one
CID 134927866
8-methoxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
CID 72815139

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one?
The IUPAC name of (1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one (CID 10612124) is (1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one.
What is the SMILES notation for (1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one?
The canonical SMILES for (1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one is COC1(C)C[C@@]2(C)C(=O)C[C@@H]1C=C2c1ccccc1C.
What is the InChIKey of (1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one?
The InChIKey is JDDJIIWIFMPQTJ-DQAFQZJZSA-N. The full InChI is InChI=1S/C18H22O2/c1-12-7-5-6-8-14(12)15-9-13-10-16(19)17(15,2)11-18(13,3)20-4/h5-9,13H,10-11H2,1-4H3/t13-,17+,18?/m0/s1.
What are the key properties of (1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one?
(1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one has a molecular weight of 270.37 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-8-methoxy-1,8-dimethyl-6-(2-methylphenyl)bicyclo[2.2.2]oct-5-en-2-one is sourced from PubChem (CID 10612124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).