1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene

C21H24O2 — CID 56837291

IUPAC1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene
SMILESC=C(C)CC(/C=C/c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H24O2/c1-16(2)15-19(18-9-13-21(23-4)14-10-18)8-5-17-6-11-20(22-3)12-7-17/h5-14,19H,1,15H2,2-4H3/b8-5+
InChIKeyKECXNHFEMVOVDF-VMPITWQZSA-N
MW308.42 g/mol
LogP5.47
Rot. Bonds7

About 1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene

1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene (PubChem CID 56837291) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene
PubChem CID56837291
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene
SMILESC=C(C)CC(/C=C/c1ccc(OC)cc1)c1ccc(OC)cc1
InChIInChI=1S/C21H24O2/c1-16(2)15-19(18-9-13-21(23-4)14-10-18)8-5-17-6-11-20(22-3)12-7-17/h5-14,19H,1,15H2,2-4H3/b8-5+
InChIKeyKECXNHFEMVOVDF-VMPITWQZSA-N
XLogP5.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.47
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-(4-methoxyphenyl)-3-methylbut-3-enoxy]-trimethylsilane
CID 89035107
1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene
CID 162401202
1-methoxy-4-[(3S)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]benzene
CID 162984597
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121
1-(4-methoxyphenyl)hexa-1,5-dien-3-ol
CID 53401972
(E,2S)-1-chloro-4-(4-methoxyphenyl)but-3-en-2-ol
CID 102199471
(E)-4-(4-methoxyphenyl)-2-(trifluoromethyl)but-3-en-1-ol
CID 162418078
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
3-(4-tert-butylphenyl)-1-(4-methoxyphenyl)prop-2-en-1-ol
CID 78103173
(1E)-N-methoxy-5-methyl-1-phenylhexa-1,5-dien-3-amine
CID 146163611
(E)-1-(diethylamino)-4-(4-methoxyphenyl)but-3-en-2-ol
CID 6366807
1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene
CID 177453758

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene?
The IUPAC name of 1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene (CID 56837291) is 1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene?
The canonical SMILES for 1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene is C=C(C)CC(/C=C/c1ccc(OC)cc1)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene?
The InChIKey is KECXNHFEMVOVDF-VMPITWQZSA-N. The full InChI is InChI=1S/C21H24O2/c1-16(2)15-19(18-9-13-21(23-4)14-10-18)8-5-17-6-11-20(22-3)12-7-17/h5-14,19H,1,15H2,2-4H3/b8-5+.
What are the key properties of 1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene?
1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene has a molecular weight of 308.42 g/mol, XLogP of 5.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene is sourced from PubChem (CID 56837291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).