1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene

C19H20O2 — CID 162984597

IUPAC1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene
SMILESC=C[C@@H](C=Cc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H20O2/c1-4-16(17-9-13-19(21-3)14-10-17)8-5-15-6-11-18(20-2)12-7-15/h4-14,16H,1H2,2-3H3/t16-/m0/s1
InChIKeyJFPWOMOGZNTYSH-INIZCTEOSA-N
MW280.37 g/mol
LogP4.69
Rot. Bonds6

About 1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene

1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene (PubChem CID 162984597) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene
PubChem CID162984597
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene
SMILESC=C[C@@H](C=Cc1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C19H20O2/c1-4-16(17-9-13-19(21-3)14-10-17)8-5-15-6-11-18(20-2)12-7-15/h4-14,16H,1H2,2-3H3/t16-/m0/s1
InChIKeyJFPWOMOGZNTYSH-INIZCTEOSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[(1Z)-1-(4-methylphenyl)penta-1,4-dien-3-yl]benzene
CID 147064601
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
4-[1-(4-aminooxyphenyl)penta-1,4-dien-3-yl]phenol
CID 90924622
4-[(3R)-1-(4-hydroxyphenyl)penta-1,4-dien-3-yl]-2-methoxyphenol
CID 162899883
5-[3-(4-hydroxyphenyl)penta-1,4-dienyl]-2-methoxyphenol
CID 163109086
dimethyl 2-[(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]propanedioate
CID 101374633
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
1-(4-methoxyphenyl)hexa-1,5-dien-3-ol
CID 53401972
(1E)-N-methoxy-1-(4-methoxyphenyl)hexa-1,5-dien-3-amine
CID 146163934
2-[(E)-1,3-bis(4-methoxyphenyl)prop-2-enyl]-1,3,5-trimethoxybenzene
CID 169227072
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene
CID 56837291

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene?
The IUPAC name of 1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene (CID 162984597) is 1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene?
The canonical SMILES for 1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene is C=C[C@@H](C=Cc1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene?
The InChIKey is JFPWOMOGZNTYSH-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20O2/c1-4-16(17-9-13-19(21-3)14-10-17)8-5-15-6-11-18(20-2)12-7-15/h4-14,16H,1H2,2-3H3/t16-/m0/s1.
What are the key properties of 1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene?
1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene has a molecular weight of 280.37 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene is sourced from PubChem (CID 162984597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).