[(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene

C21H24O2 — CID 101105537

IUPAC[(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene
SMILESC[C@]1(COCc2ccccc2)C=C[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C21H24O2/c1-21(17-22-15-18-8-4-2-5-9-18)13-12-20(14-21)23-16-19-10-6-3-7-11-19/h2-13,20H,14-17H2,1H3/t20-,21+/m1/s1
InChIKeyQNXJKZVAFJTFIN-RTWAWAEBSA-N
MW308.42 g/mol
LogP4.75
Rot. Bonds7

About [(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene

[(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene (PubChem CID 101105537) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is [(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene.

Molecular Properties

Compound Name[(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene
PubChem CID101105537
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name[(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene
SMILESC[C@]1(COCc2ccccc2)C=C[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C21H24O2/c1-21(17-22-15-18-8-4-2-5-9-18)13-12-20(14-21)23-16-19-10-6-3-7-11-19/h2-13,20H,14-17H2,1H3/t20-,21+/m1/s1
InChIKeyQNXJKZVAFJTFIN-RTWAWAEBSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(phenylmethoxymethyl)oxirane
CID 4613554
(1R,2R,4S,5S,6R)-5,6-bis(phenylmethoxy)-4-(phenylmethoxymethyl)cyclohexane-1,2,4-triol
CID 11048887
(2R,3R,4S,5R)-5-methyl-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 140986765
(4-phenylmethoxycyclopent-2-en-1-yl)oxymethylbenzene
CID 14593673
5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 172801831
(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
CID 15450619
(1R,3R,4R,5S,6R)-3-methoxy-4-phenylmethoxy-1-(phenylmethoxymethyl)-2-oxabicyclo[4.1.0]heptan-5-ol
CID 11958276
(4S,5R)-5-methyl-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 153175222
1-(phenylmethoxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
CID 56631557
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
[(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene
CID 164670270

Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene?
The IUPAC name of [(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene (CID 101105537) is [(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene.
What is the SMILES notation for [(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene?
The canonical SMILES for [(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene is C[C@]1(COCc2ccccc2)C=C[C@@H](OCc2ccccc2)C1.
What is the InChIKey of [(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene?
The InChIKey is QNXJKZVAFJTFIN-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H24O2/c1-21(17-22-15-18-8-4-2-5-9-18)13-12-20(14-21)23-16-19-10-6-3-7-11-19/h2-13,20H,14-17H2,1H3/t20-,21+/m1/s1.
What are the key properties of [(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene?
[(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene has a molecular weight of 308.42 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,4S)-1-methyl-4-phenylmethoxycyclopent-2-en-1-yl]methoxymethylbenzene is sourced from PubChem (CID 101105537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).