1-methoxy-4-[(E)-pent-2-enoxy]benzene

C12H16O2 — CID 176585225

IUPAC1-methoxy-4-[(E)-pent-2-enoxy]benzene
SMILESCC/C=C/COc1ccc(OC)cc1
InChIInChI=1S/C12H16O2/c1-3-4-5-10-14-12-8-6-11(13-2)7-9-12/h4-9H,3,10H2,1-2H3/b5-4+
InChIKeyGONIGBDTOSQWIY-SNAWJCMRSA-N
MW192.26 g/mol
LogP3.04
Rot. Bonds5

About 1-methoxy-4-[(E)-pent-2-enoxy]benzene

1-methoxy-4-[(E)-pent-2-enoxy]benzene (PubChem CID 176585225) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-pent-2-enoxy]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-pent-2-enoxy]benzene
PubChem CID176585225
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-methoxy-4-[(E)-pent-2-enoxy]benzene
SMILESCC/C=C/COc1ccc(OC)cc1
InChIInChI=1S/C12H16O2/c1-3-4-5-10-14-12-8-6-11(13-2)7-9-12/h4-9H,3,10H2,1-2H3/b5-4+
InChIKeyGONIGBDTOSQWIY-SNAWJCMRSA-N
XLogP3.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 53.04
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

1-ethyl-4-[(E)-pent-2-enoxy]benzene
CID 152800544
1-hex-2-enoxy-4-[2-(4-methoxyphenyl)ethynyl]benzene
CID 70371844
(E)-4-(4-methoxyphenoxy)-N,N-dimethylbut-2-en-1-amine
CID 27241016
triethyl-[(E)-3-(4-methoxyphenoxy)prop-1-enyl]silane
CID 102455539
ethyl 4-(4-methoxyphenoxy)but-2-enoate
CID 71364668
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
1-methoxy-4-[(Z)-5-phenoxypent-3-en-1-ynyl]benzene
CID 102460200
4-[(E)-4-(4-aminophenoxy)but-2-enoxy]aniline
CID 23321989
1-methoxy-4-[[(E)-4-[(4-methoxyphenyl)methoxy]but-2-enoxy]methyl]benzene
CID 14814212
2-[4-[(E)-pent-2-enoxy]phenyl]-5-propyl-1,3-thiazole
CID 23432042
1-[(E)-but-1-enyl]-4-methoxy-2-methylbenzene
CID 145499218
(4-methoxyphenoxy)methanol
CID 20580272

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-pent-2-enoxy]benzene?
The IUPAC name of 1-methoxy-4-[(E)-pent-2-enoxy]benzene (CID 176585225) is 1-methoxy-4-[(E)-pent-2-enoxy]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-pent-2-enoxy]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-pent-2-enoxy]benzene is CC/C=C/COc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-pent-2-enoxy]benzene?
The InChIKey is GONIGBDTOSQWIY-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H16O2/c1-3-4-5-10-14-12-8-6-11(13-2)7-9-12/h4-9H,3,10H2,1-2H3/b5-4+.
What are the key properties of 1-methoxy-4-[(E)-pent-2-enoxy]benzene?
1-methoxy-4-[(E)-pent-2-enoxy]benzene has a molecular weight of 192.26 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-pent-2-enoxy]benzene is sourced from PubChem (CID 176585225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).