1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene

C35H30O3 — CID 53395274

IUPAC1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
SMILESC(=Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C35H30O3/c1-4-10-29(11-5-1)25-36-33-20-18-28(19-21-33)16-17-32-22-34(37-26-30-12-6-2-7-13-30)24-35(23-32)38-27-31-14-8-3-9-15-31/h1-24H,25-27H2
InChIKeyDNTQLVRXOUFTAQ-UHFFFAOYSA-N
MW498.62 g/mol
LogP8.59
Rot. Bonds11

About 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene

1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene (PubChem CID 53395274) has the molecular formula C35H30O3 and a molecular weight of 498.62 g/mol. Its IUPAC name is 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
PubChem CID53395274
Molecular FormulaC35H30O3
Molecular Weight498.62 g/mol
Exact Mass498.22
IUPAC Name1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
SMILESC(=Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C35H30O3/c1-4-10-29(11-5-1)25-36-33-20-18-28(19-21-33)16-17-32-22-34(37-26-30-12-6-2-7-13-30)24-35(23-32)38-27-31-14-8-3-9-15-31/h1-24H,25-27H2
InChIKeyDNTQLVRXOUFTAQ-UHFFFAOYSA-N
XLogP8.59
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.62
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
CID 141466658
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
1-[(E)-2-nitroethenyl]-3,5-bis(phenylmethoxy)benzene
CID 11792933
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
2-methyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
CID 123614414
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
1-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-2-hydroxyphenyl]-3-[4-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]prop-2-en-1-one
CID 168806042
2-[4-[[3-methoxy-5-[(E)-2-(4-methoxyphenyl)ethenyl]phenoxy]methyl]phenyl]acetic acid
CID 176907777
1-[(1E)-3-phenylbuta-1,3-dienyl]-4-phenylmethoxybenzene
CID 144528376
2-(4-phenylmethoxyphenyl)ethenone
CID 175186077
N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
CID 118344224

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene?
The IUPAC name of 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene (CID 53395274) is 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene is C(=Cc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene?
The InChIKey is DNTQLVRXOUFTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H30O3/c1-4-10-29(11-5-1)25-36-33-20-18-28(19-21-33)16-17-32-22-34(37-26-30-12-6-2-7-13-30)24-35(23-32)38-27-31-14-8-3-9-15-31/h1-24H,25-27H2.
What are the key properties of 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene?
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene has a molecular weight of 498.62 g/mol, XLogP of 8.59, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 53395274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).