1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene

C25H24O3 — CID 54436415

IUPAC1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene
SMILESCOCOc1cccc(C=CC=Cc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C25H24O3/c1-26-20-28-24-16-9-13-21(18-24)10-5-6-14-23-15-7-8-17-25(23)27-19-22-11-3-2-4-12-22/h2-18H,19-20H2,1H3
InChIKeyWLARYBAQJCZVAD-UHFFFAOYSA-N
MW372.46 g/mol
LogP5.97
Rot. Bonds9

About 1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene

1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene (PubChem CID 54436415) has the molecular formula C25H24O3 and a molecular weight of 372.46 g/mol. Its IUPAC name is 1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene.

Molecular Properties

Compound Name1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene
PubChem CID54436415
Molecular FormulaC25H24O3
Molecular Weight372.46 g/mol
Exact Mass372.17
IUPAC Name1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene
SMILESCOCOc1cccc(C=CC=Cc2ccccc2OCc2ccccc2)c1
InChIInChI=1S/C25H24O3/c1-26-20-28-24-16-9-13-21(18-24)10-5-6-14-23-15-7-8-17-25(23)27-19-22-11-3-2-4-12-22/h2-18H,19-20H2,1H3
InChIKeyWLARYBAQJCZVAD-UHFFFAOYSA-N
XLogP5.97
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.46
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene
CID 52916293
1-[(E)-3-methoxyprop-1-enyl]-2-phenylmethoxybenzene
CID 141153836
1-(methoxymethoxy)-3-(methoxymethyl)benzene
CID 138736318
2-methoxy-4-[2-(2-phenylmethoxyphenyl)ethenyl]benzoic acid
CID 54000159
1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene
CID 72671041
3-[(4-methoxy-3-phenylmethoxyphenyl)methoxy]benzaldehyde
CID 11484837
1-(2,2-dichloroethenyl)-3-(methoxymethoxy)benzene
CID 138987762
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
N-hydroxy-2-(3-phenylmethoxyphenyl)ethenamine oxide
CID 163182445
(E)-4-(3-phenylmethoxyphenyl)but-3-enoic acid
CID 102534265
3-[[3-[[3-[(3-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzaldehyde
CID 11156824

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene?
The IUPAC name of 1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene (CID 54436415) is 1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene.
What is the SMILES notation for 1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene?
The canonical SMILES for 1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene is COCOc1cccc(C=CC=Cc2ccccc2OCc2ccccc2)c1.
What is the InChIKey of 1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene?
The InChIKey is WLARYBAQJCZVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O3/c1-26-20-28-24-16-9-13-21(18-24)10-5-6-14-23-15-7-8-17-25(23)27-19-22-11-3-2-4-12-22/h2-18H,19-20H2,1H3.
What are the key properties of 1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene?
1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene has a molecular weight of 372.46 g/mol, XLogP of 5.97, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethoxy)-3-[4-(2-phenylmethoxyphenyl)buta-1,3-dienyl]benzene is sourced from PubChem (CID 54436415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).