1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene

C17H24O — CID 167114293

IUPAC1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene
SMILESC/C=C/C(/C=C/C)CCCc1ccc(OC)cc1
InChIInChI=1S/C17H24O/c1-4-7-15(8-5-2)9-6-10-16-11-13-17(18-3)14-12-16/h4-5,7-8,11-15H,6,9-10H2,1-3H3/b7-4+,8-5+
InChIKeyMLTQLORSWUQNBF-NSLJXJERSA-N
MW244.38 g/mol
LogP4.79
Rot. Bonds7

About 1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene

1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene (PubChem CID 167114293) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene
PubChem CID167114293
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene
SMILESC/C=C/C(/C=C/C)CCCc1ccc(OC)cc1
InChIInChI=1S/C17H24O/c1-4-7-15(8-5-2)9-6-10-16-11-13-17(18-3)14-12-16/h4-5,7-8,11-15H,6,9-10H2,1-3H3/b7-4+,8-5+
InChIKeyMLTQLORSWUQNBF-NSLJXJERSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.79
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

6-(4-methoxyphenyl)-2-methylhexan-3-amine
CID 83932077
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 23157957
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-(5-chloroheptyl)-4-methoxybenzene
CID 65443850
6-(4-methoxyphenyl)hex-1-yn-3-amine;hydrochloride
CID 86602816
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
2-[3-(4-methoxyphenyl)propyl]butanedioic acid
CID 54505508
1-methoxy-4-[[(2R)-2-methylpent-3-enoxy]methyl]benzene
CID 71377965
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene (CID 167114293) is 1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene is C/C=C/C(/C=C/C)CCCc1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene?
The InChIKey is MLTQLORSWUQNBF-NSLJXJERSA-N. The full InChI is InChI=1S/C17H24O/c1-4-7-15(8-5-2)9-6-10-16-11-13-17(18-3)14-12-16/h4-5,7-8,11-15H,6,9-10H2,1-3H3/b7-4+,8-5+.
What are the key properties of 1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene?
1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene has a molecular weight of 244.38 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-4-[(E)-prop-1-enyl]hept-5-enyl]benzene is sourced from PubChem (CID 167114293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).