1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene

C19H20O — CID 123460289

IUPAC1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene
SMILESC=CC(C)(C=Cc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H20O/c1-4-19(2,17-8-6-5-7-9-17)15-14-16-10-12-18(20-3)13-11-16/h4-15H,1H2,2-3H3
InChIKeyDIUHUSKJOGZLLH-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.85
Rot. Bonds5

About 1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene

1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene (PubChem CID 123460289) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene.

Molecular Properties

Compound Name1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene
PubChem CID123460289
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene
SMILESC=CC(C)(C=Cc1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H20O/c1-4-19(2,17-8-6-5-7-9-17)15-14-16-10-12-18(20-3)13-11-16/h4-15H,1H2,2-3H3
InChIKeyDIUHUSKJOGZLLH-UHFFFAOYSA-N
XLogP4.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.85
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-(3,3-dimethylbut-1-enyl)-4-methoxybenzene
CID 58550641
1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene
CID 10012750
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
2-methyl-2,4-diphenylbut-3-enal
CID 154114517
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
1-(4-methoxyphenyl)-N-(2-phenylpropan-2-yl)methanimine oxide
CID 3800043
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
(E)-1-(benzenesulfonyl)-1-fluoro-4-(4-methoxyphenyl)-2-phenylbut-3-en-2-ol
CID 135060995
2-(4-methoxyphenyl)-2-phenylpropanenitrile
CID 175950796
[(2R)-2-(4-methoxyphenyl)but-3-en-2-yl]-dimethyl-phenylsilane
CID 134940079
2,4-bis(4-tert-butylphenyl)-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2,4-bis[4-(4-tert-butylphenyl)phenyl]-6-[4-(4-ethenylphenyl)phenyl]-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis[4-(4-methoxyphenyl)phenyl]-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-methoxyphenyl)-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[4-(4-ethenylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158211883

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene?
The IUPAC name of 1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene (CID 123460289) is 1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene.
What is the SMILES notation for 1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene?
The canonical SMILES for 1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene is C=CC(C)(C=Cc1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene?
The InChIKey is DIUHUSKJOGZLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O/c1-4-19(2,17-8-6-5-7-9-17)15-14-16-10-12-18(20-3)13-11-16/h4-15H,1H2,2-3H3.
What are the key properties of 1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene?
1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene has a molecular weight of 264.37 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(3-methyl-3-phenylpenta-1,4-dienyl)benzene is sourced from PubChem (CID 123460289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).