[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene

C28H32O4 — CID 101171372

IUPAC[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
SMILESCO[C@@H]1C[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H32O4/c1-29-26-17-25(21-30-18-22-11-5-2-6-12-22)27(31-19-23-13-7-3-8-14-23)28(26)32-20-24-15-9-4-10-16-24/h2-16,25-28H,17-21H2,1H3/t25-,26-,27-,28-/m1/s1
InChIKeyDARKADGQRHRZBM-BIYDSLDMSA-N
MW432.56 g/mol
LogP5.41
Rot. Bonds11

About [(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene

[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene (PubChem CID 101171372) has the molecular formula C28H32O4 and a molecular weight of 432.56 g/mol. Its IUPAC name is [(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene.

Molecular Properties

Compound Name[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
PubChem CID101171372
Molecular FormulaC28H32O4
Molecular Weight432.56 g/mol
Exact Mass432.23
IUPAC Name[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
SMILESCO[C@@H]1C[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C28H32O4/c1-29-26-17-25(21-30-18-22-11-5-2-6-12-22)27(31-19-23-13-7-3-8-14-23)28(26)32-20-24-15-9-4-10-16-24/h2-16,25-28H,17-21H2,1H3/t25-,26-,27-,28-/m1/s1
InChIKeyDARKADGQRHRZBM-BIYDSLDMSA-N
XLogP5.41
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R,4S,5S)-2-[(1R,2S,3S,4S,6R)-4-methoxy-2,3-bis(phenylmethoxy)-6-(phenylmethoxymethyl)cyclohexyl]oxy-6-methylidene-3,4,5-tris(phenylmethoxy)oxane
CID 135050697
(1S,2R,3S,4S,5S)-5-methoxy-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10671161
(1R,2S,3S,4R,5R)-2,3,4-tris(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexane-1-carbaldehyde
CID 134930284
CID 148610359
CID 148610359
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(2R,3R,4S,5S)-7-methoxy-3,4,5-tris(phenylmethoxy)-2-(phenylmethoxymethyl)oxepane
CID 58940191
[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876
[(5R,6S)-5,6-bis(phenylmethoxy)cyclohex-3-en-1-yl]methoxymethylbenzene
CID 138969880
(1S,2R,3R,4R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxy-4-(phenylmethoxymethyl)cyclohexane-1,2-diol
CID 53473858
(3S,4S)-3-methoxy-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 135017778
[(1S,2S,3S,5R,6R)-3-azido-2,6-bis(phenylmethoxy)-5-(phenylmethoxymethyl)cyclohexyl]oxymethylbenzene
CID 10507155
(2S,3S,4S,6S)-2-methoxy-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 11037694

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene?
The IUPAC name of [(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene (CID 101171372) is [(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene.
What is the SMILES notation for [(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene?
The canonical SMILES for [(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene is CO[C@@H]1C[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene?
The InChIKey is DARKADGQRHRZBM-BIYDSLDMSA-N. The full InChI is InChI=1S/C28H32O4/c1-29-26-17-25(21-30-18-22-11-5-2-6-12-22)27(31-19-23-13-7-3-8-14-23)28(26)32-20-24-15-9-4-10-16-24/h2-16,25-28H,17-21H2,1H3/t25-,26-,27-,28-/m1/s1.
What are the key properties of [(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene?
[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene has a molecular weight of 432.56 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene is sourced from PubChem (CID 101171372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).