(1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one

C16H20O3 — CID 10563294

IUPAC(1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one
SMILESCOc1ccc(CO[C@H]2C[C@@H]3CC[C@H]2C(=O)C3)cc1
InChIInChI=1S/C16H20O3/c1-18-13-5-2-11(3-6-13)10-19-16-9-12-4-7-14(16)15(17)8-12/h2-3,5-6,12,14,16H,4,7-10H2,1H3/t12-,14+,16+/m1/s1
InChIKeyYZYXGBYDNZGYGM-INWMFGNUSA-N
MW260.33 g/mol
LogP2.97
Rot. Bonds4

About (1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one

(1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one (PubChem CID 10563294) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is (1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one.

Molecular Properties

Compound Name(1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one
PubChem CID10563294
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name(1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one
SMILESCOc1ccc(CO[C@H]2C[C@@H]3CC[C@H]2C(=O)C3)cc1
InChIInChI=1S/C16H20O3/c1-18-13-5-2-11(3-6-13)10-19-16-9-12-4-7-14(16)15(17)8-12/h2-3,5-6,12,14,16H,4,7-10H2,1H3/t12-,14+,16+/m1/s1
InChIKeyYZYXGBYDNZGYGM-INWMFGNUSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one with MolForge

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Related Compounds

(1S,4S,5R)-5-[(4-methoxyphenyl)methoxy]bicyclo[2.2.1]heptan-2-one
CID 11481987
2-[(4-methoxyphenyl)methoxy]cyclohexan-1-one
CID 11149013
2-ethyl-3-[(4-methoxyphenyl)methoxy]-2-methylcyclobutan-1-one
CID 66367851
2-[(4-methoxyphenyl)methoxy]cyclopentan-1-amine
CID 62109751
trans-(1R,2R)-2-[(4-methoxyphenyl)methoxy]cycloheptan-1-ol
CID 16720719
3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
CID 118050407
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(5S,6S)-6-ethyl-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 102479868
(4S,5R)-1-benzyl-5-[(4-methoxyphenyl)methyl]-4-phenylmethoxypyrrolidin-2-one
CID 134850809
(5S,6R)-6-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-5-phenylmethoxypiperidin-2-one
CID 11235798
(5S,6S)-1-[(4-methoxyphenyl)methyl]-6-phenyl-5-phenylmethoxypiperidin-2-one
CID 102479873
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427

Frequently Asked Questions

What is the IUPAC name of (1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one?
The IUPAC name of (1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one (CID 10563294) is (1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one.
What is the SMILES notation for (1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one?
The canonical SMILES for (1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one is COc1ccc(CO[C@H]2C[C@@H]3CC[C@H]2C(=O)C3)cc1.
What is the InChIKey of (1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one?
The InChIKey is YZYXGBYDNZGYGM-INWMFGNUSA-N. The full InChI is InChI=1S/C16H20O3/c1-18-13-5-2-11(3-6-13)10-19-16-9-12-4-7-14(16)15(17)8-12/h2-3,5-6,12,14,16H,4,7-10H2,1H3/t12-,14+,16+/m1/s1.
What are the key properties of (1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one?
(1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one has a molecular weight of 260.33 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,6S)-6-[(4-methoxyphenyl)methoxy]bicyclo[2.2.2]octan-2-one is sourced from PubChem (CID 10563294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).