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

C35H30O3 — CID 10413576

IUPAC1,3-bis(phenylmethoxy)-5-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene
SMILESC(=C/c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C35H30O3/c1-4-11-29(12-5-1)25-36-33-18-10-17-28(21-33)19-20-32-22-34(37-26-30-13-6-2-7-14-30)24-35(23-32)38-27-31-15-8-3-9-16-31/h1-24H,25-27H2/b20-19+
InChIKeyKDJJEOIYHAYBMW-FMQUCBEESA-N
MW498.62 g/mol
LogP8.59
Rot. Bonds11

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

1,3-bis(phenylmethoxy)-5-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene (PubChem CID 10413576) has the molecular formula C35H30O3 and a molecular weight of 498.62 g/mol. Its IUPAC name is 1,3-bis(phenylmethoxy)-5-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,3-bis(phenylmethoxy)-5-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene
PubChem CID10413576
Molecular FormulaC35H30O3
Molecular Weight498.62 g/mol
Exact Mass498.22
IUPAC Name1,3-bis(phenylmethoxy)-5-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene
SMILESC(=C/c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)\c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C35H30O3/c1-4-11-29(12-5-1)25-36-33-18-10-17-28(21-33)19-20-32-22-34(37-26-30-13-6-2-7-14-30)24-35(23-32)38-27-31-15-8-3-9-16-31/h1-24H,25-27H2/b20-19+
InChIKeyKDJJEOIYHAYBMW-FMQUCBEESA-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

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CID 5388063
1,3-Bis(3-phenoxyphenoxy)benzene
CID 75565
3,5-Dimethoxystilbene
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Cis-3,5-Dimethoxystilbene
CID 13556468
(Z)-3,5,4'-Trimethoxystilbene
CID 9878556
1-[(E)-2-[4-(3-fluoropropoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 56950053
Benzene, 1,1'-(1E)-1,2-ethenediylbis[3,5-dimethoxy-
CID 9817804
3,3',5-Trimethoxybibenzyl
CID 15693460
1-[(Z)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 11243890
1-[(E)-2-(4-ethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 11300595
1-[(E)-2-(4-butoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 11358876
1-[(Z)-2-(4-ethoxyphenyl)ethenyl]-3,5-dimethoxybenzene
CID 11482995

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(phenylmethoxy)-5-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene?
The IUPAC name of 1,3-bis(phenylmethoxy)-5-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene (CID 10413576) is 1,3-bis(phenylmethoxy)-5-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene.
What is the SMILES notation for 1,3-bis(phenylmethoxy)-5-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene?
The canonical SMILES for 1,3-bis(phenylmethoxy)-5-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene is C(=C/c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1)\c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1,3-bis(phenylmethoxy)-5-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene?
The InChIKey is KDJJEOIYHAYBMW-FMQUCBEESA-N. The full InChI is InChI=1S/C35H30O3/c1-4-11-29(12-5-1)25-36-33-18-10-17-28(21-33)19-20-32-22-34(37-26-30-13-6-2-7-14-30)24-35(23-32)38-27-31-15-8-3-9-16-31/h1-24H,25-27H2/b20-19+.
What are the key properties of 1,3-bis(phenylmethoxy)-5-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene?
1,3-bis(phenylmethoxy)-5-[(E)-2-(3-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-[(E)-2-(3-phenylmethoxyphenyl)ethenyl]benzene is sourced from PubChem (CID 10413576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).