1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene

C12H16O2 — CID 12531526

IUPAC1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene
SMILESC/C=C(/OCC)c1ccc(OC)cc1
InChIInChI=1S/C12H16O2/c1-4-12(14-5-2)10-6-8-11(13-3)9-7-10/h4,6-9H,5H2,1-3H3/b12-4+
InChIKeyXPKSUHIDJPMPNP-UUILKARUSA-N
MW192.26 g/mol
LogP3.09
Rot. Bonds4

About 1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene

1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene (PubChem CID 12531526) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene
PubChem CID12531526
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene
SMILESC/C=C(/OCC)c1ccc(OC)cc1
InChIInChI=1S/C12H16O2/c1-4-12(14-5-2)10-6-8-11(13-3)9-7-10/h4,6-9H,5H2,1-3H3/b12-4+
InChIKeyXPKSUHIDJPMPNP-UUILKARUSA-N
XLogP3.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene
CID 10329885
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
(2E,4E)-5-ethoxy-N,N-diethyl-1,5-bis(4-methoxyphenyl)penta-2,4-dien-1-amine
CID 101029005
(E)-3-ethoxy-3-methoxy-1-(4-methoxyphenyl)prop-2-en-1-one
CID 59487970
ethyl acetate;4-methoxybenzoic acid
CID 158342660
ethyl (E)-3-(4-methoxyphenyl)-2-methylbut-2-enoate
CID 14981539
ethyl 3,4-bis(4-methoxyphenyl)but-3-enoate
CID 67000278
ethyl 3,3-bis(4-methoxyphenyl)-2-methylprop-2-enoate
CID 19421674
ethyl (2R)-3-(4-methoxyphenyl)-2-methyl-3-oxopropanoate
CID 97035569
[7-ethoxy-1,7-bis(4-methoxyphenyl)hepta-2,4,6-trienylidene]-diethylazanium tetrafluoroborate
CID 131737664
triethyl-[(E)-1-(4-methoxyphenyl)prop-1-enyl]silane
CID 164735856

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene?
The IUPAC name of 1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene (CID 12531526) is 1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene?
The canonical SMILES for 1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene is C/C=C(/OCC)c1ccc(OC)cc1.
What is the InChIKey of 1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene?
The InChIKey is XPKSUHIDJPMPNP-UUILKARUSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-12(14-5-2)10-6-8-11(13-3)9-7-10/h4,6-9H,5H2,1-3H3/b12-4+.
What are the key properties of 1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene?
1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene has a molecular weight of 192.26 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-ethoxyprop-1-enyl]-4-methoxybenzene is sourced from PubChem (CID 12531526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).