1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene

C13H16O2 — CID 67861260

IUPAC1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene
SMILESC=CCOc1ccccc1/C(=C\C)OC
InChIInChI=1S/C13H16O2/c1-4-10-15-13-9-7-6-8-11(13)12(5-2)14-3/h4-9H,1,10H2,2-3H3/b12-5+
InChIKeyFYFGQJONUSYIGI-LFYBBSHMSA-N
MW204.27 g/mol
LogP3.26
Rot. Bonds5

About 1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene

1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene (PubChem CID 67861260) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene.

Molecular Properties

Compound Name1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene
PubChem CID67861260
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene
SMILESC=CCOc1ccccc1/C(=C\C)OC
InChIInChI=1S/C13H16O2/c1-4-10-15-13-9-7-6-8-11(13)12(5-2)14-3/h4-9H,1,10H2,2-3H3/b12-5+
InChIKeyFYFGQJONUSYIGI-LFYBBSHMSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-prop-2-enoxybenzoyl)prop-2-enoate
CID 10083253
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
2-prop-2-enoxybenzenecarboperoxoic acid
CID 88627610
CID 70191473
CID 70191473
N-methoxy-N-methyl-2-prop-2-enoxybenzamide
CID 60735297
2-hydroxy-1-(2-prop-2-enoxyphenyl)ethanone
CID 19910773
2-chloro-1-(2-prop-2-enoxyphenyl)ethanone
CID 12579607
phenyl-(2-prop-2-enoxyphenyl)methanethione
CID 14227059
1-(methoxymethoxy)-2-prop-2-enoxybenzene
CID 121218141
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide
CID 115700247

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene?
The IUPAC name of 1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene (CID 67861260) is 1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene.
What is the SMILES notation for 1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene?
The canonical SMILES for 1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene is C=CCOc1ccccc1/C(=C\C)OC.
What is the InChIKey of 1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene?
The InChIKey is FYFGQJONUSYIGI-LFYBBSHMSA-N. The full InChI is InChI=1S/C13H16O2/c1-4-10-15-13-9-7-6-8-11(13)12(5-2)14-3/h4-9H,1,10H2,2-3H3/b12-5+.
What are the key properties of 1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene?
1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene has a molecular weight of 204.27 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-methoxyprop-1-enyl]-2-prop-2-enoxybenzene is sourced from PubChem (CID 67861260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).