[(1R)-1-methoxyprop-2-enoxy]methylbenzene

C11H14O2 — CID 126647784

IUPAC[(1R)-1-methoxyprop-2-enoxy]methylbenzene
SMILESC=CC(OC)OCc1ccccc1
InChIInChI=1S/C11H14O2/c1-3-11(12-2)13-9-10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3
InChIKeyPODVLMHENPYKPS-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.36
Rot. Bonds5

About [(1R)-1-methoxyprop-2-enoxy]methylbenzene

[(1R)-1-methoxyprop-2-enoxy]methylbenzene (PubChem CID 126647784) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is [(1R)-1-methoxyprop-2-enoxy]methylbenzene.

Molecular Properties

Compound Name[(1R)-1-methoxyprop-2-enoxy]methylbenzene
PubChem CID126647784
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name[(1R)-1-methoxyprop-2-enoxy]methylbenzene
SMILESC=CC(OC)OCc1ccccc1
InChIInChI=1S/C11H14O2/c1-3-11(12-2)13-9-10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3
InChIKeyPODVLMHENPYKPS-UHFFFAOYSA-N
XLogP2.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586
[(3R,4R)-4-phenylmethoxyhexa-1,5-dien-3-yl]oxymethylbenzene
CID 10756228
penta-1,4-dien-3-yloxymethylbenzene
CID 102250646
4-methylpent-1-en-3-yloxymethylbenzene
CID 14644024
1-fluoro-4-[(1S)-1-phenylmethoxyprop-2-enoxy]benzene
CID 155933930
[(E)-1-phenylmethoxybut-2-enoxy]methylbenzene
CID 14220581
1-chloroprop-2-enoxymethylbenzene
CID 175273540
1,2-dimethoxy-4-(1-phenylmethoxyprop-2-enylperoxymethyl)benzene
CID 102280841
(2S,3R)-3-phenylmethoxypent-4-en-2-ol
CID 73332888
[methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene
CID 57002488
(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enal
CID 56926974
(2R,3R)-N-[(2R,3R)-2,3-bis(phenylmethoxy)pent-4-enyl]-2,3-bis(phenylmethoxy)pent-4-en-1-amine
CID 46915682

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-methoxyprop-2-enoxy]methylbenzene?
The IUPAC name of [(1R)-1-methoxyprop-2-enoxy]methylbenzene (CID 126647784) is [(1R)-1-methoxyprop-2-enoxy]methylbenzene.
What is the SMILES notation for [(1R)-1-methoxyprop-2-enoxy]methylbenzene?
The canonical SMILES for [(1R)-1-methoxyprop-2-enoxy]methylbenzene is C=CC(OC)OCc1ccccc1.
What is the InChIKey of [(1R)-1-methoxyprop-2-enoxy]methylbenzene?
The InChIKey is PODVLMHENPYKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-11(12-2)13-9-10-7-5-4-6-8-10/h3-8,11H,1,9H2,2H3.
What are the key properties of [(1R)-1-methoxyprop-2-enoxy]methylbenzene?
[(1R)-1-methoxyprop-2-enoxy]methylbenzene has a molecular weight of 178.23 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-methoxyprop-2-enoxy]methylbenzene is sourced from PubChem (CID 126647784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).