1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene

C26H28O4 — CID 138319933

IUPAC1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
SMILESCCC(=C(c1ccc(OCOC)cc1)c1ccc(OCOC)cc1)c1ccccc1
InChIInChI=1S/C26H28O4/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(15-11-21)29-18-27-2)22-12-16-24(17-13-22)30-19-28-3/h5-17H,4,18-19H2,1-3H3
InChIKeyPJZYMPXASRLQDI-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.02
Rot. Bonds10

About 1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene

1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene (PubChem CID 138319933) has the molecular formula C26H28O4 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene.

Molecular Properties

Compound Name1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
PubChem CID138319933
Molecular FormulaC26H28O4
Molecular Weight404.51 g/mol
Exact Mass404.20
IUPAC Name1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
SMILESCCC(=C(c1ccc(OCOC)cc1)c1ccc(OCOC)cc1)c1ccccc1
InChIInChI=1S/C26H28O4/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(15-11-21)29-18-27-2)22-12-16-24(17-13-22)30-19-28-3/h5-17H,4,18-19H2,1-3H3
InChIKeyPJZYMPXASRLQDI-UHFFFAOYSA-N
XLogP6.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
CID 170597875
1-(5-bromopentoxy)-4-(1,2-diphenylbut-1-enyl)benzene
CID 67653107
(E)-2,3-bis[4-(methoxymethoxy)phenyl]pent-2-enoic acid
CID 68731850
(2S,3S)-2-[[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]methyl]-3-methyloxirane
CID 88751480
1-[(Z)-1,2-diphenylbut-1-enyl]-4-(2-phenylmethoxyethoxy)benzene
CID 121473019
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
CID 54405970
4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane
CID 143870397
4-[(E)-1-[4-[2-(diethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]benzonitrile
CID 139774948
4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 54613017

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene?
The IUPAC name of 1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene (CID 138319933) is 1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene.
What is the SMILES notation for 1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene?
The canonical SMILES for 1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene is CCC(=C(c1ccc(OCOC)cc1)c1ccc(OCOC)cc1)c1ccccc1.
What is the InChIKey of 1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene?
The InChIKey is PJZYMPXASRLQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O4/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(15-11-21)29-18-27-2)22-12-16-24(17-13-22)30-19-28-3/h5-17H,4,18-19H2,1-3H3.
What are the key properties of 1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene?
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene has a molecular weight of 404.51 g/mol, XLogP of 6.02, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene is sourced from PubChem (CID 138319933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).