1-methoxy-4-[(E)-pent-3-enyl]benzene

C12H16O — CID 15169394

IUPAC1-methoxy-4-[(E)-pent-3-enyl]benzene
SMILESC/C=C/CCc1ccc(OC)cc1
InChIInChI=1S/C12H16O/c1-3-4-5-6-11-7-9-12(13-2)10-8-11/h3-4,7-10H,5-6H2,1-2H3/b4-3+
InChIKeyYAJWTQZEDNMEEV-ONEGZZNKSA-N
MW176.26 g/mol
LogP3.20
Rot. Bonds4

About 1-methoxy-4-[(E)-pent-3-enyl]benzene

1-methoxy-4-[(E)-pent-3-enyl]benzene (PubChem CID 15169394) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-pent-3-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-pent-3-enyl]benzene
PubChem CID15169394
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-methoxy-4-[(E)-pent-3-enyl]benzene
SMILESC/C=C/CCc1ccc(OC)cc1
InChIInChI=1S/C12H16O/c1-3-4-5-6-11-7-9-12(13-2)10-8-11/h3-4,7-10H,5-6H2,1-2H3/b4-3+
InChIKeyYAJWTQZEDNMEEV-ONEGZZNKSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339
1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene
CID 23455715
1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene
CID 83932852
1-[(Z)-pent-3-enyl]-4-phenoxybenzene
CID 83939005
(Z)-1-(4-methoxyphenyl)non-7-en-3-one
CID 102031685
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-pent-3-enyl-4-propylbenzene
CID 72599491
1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629053
1-[(Z)-pent-3-enyl]-4-pentoxybenzene
CID 83932611
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
1-[(E)-pent-3-enyl]-4-[2-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]ethyl]benzene
CID 140774698

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-pent-3-enyl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-pent-3-enyl]benzene (CID 15169394) is 1-methoxy-4-[(E)-pent-3-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-pent-3-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-pent-3-enyl]benzene is C/C=C/CCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-pent-3-enyl]benzene?
The InChIKey is YAJWTQZEDNMEEV-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H16O/c1-3-4-5-6-11-7-9-12(13-2)10-8-11/h3-4,7-10H,5-6H2,1-2H3/b4-3+.
What are the key properties of 1-methoxy-4-[(E)-pent-3-enyl]benzene?
1-methoxy-4-[(E)-pent-3-enyl]benzene has a molecular weight of 176.26 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-pent-3-enyl]benzene is sourced from PubChem (CID 15169394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).