1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene

C30H28O4 — CID 101267905

IUPAC1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(/C=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc(OC)c1
InChIInChI=1S/C30H28O4/c1-31-27-17-26(18-28(20-27)32-2)14-13-23-15-16-29(33-21-24-9-5-3-6-10-24)30(19-23)34-22-25-11-7-4-8-12-25/h3-20H,21-22H2,1-2H3/b14-13+
InChIKeyQUECROTXSAEPGR-BUHFOSPRSA-N
MW452.55 g/mol
LogP7.03
Rot. Bonds10

About 1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene

1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene (PubChem CID 101267905) has the molecular formula C30H28O4 and a molecular weight of 452.55 g/mol. Its IUPAC name is 1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
PubChem CID101267905
Molecular FormulaC30H28O4
Molecular Weight452.55 g/mol
Exact Mass452.20
IUPAC Name1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(/C=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc(OC)c1
InChIInChI=1S/C30H28O4/c1-31-27-17-26(18-28(20-27)32-2)14-13-23-15-16-29(33-21-24-9-5-3-6-10-24)30(19-23)34-22-25-11-7-4-8-12-25/h3-20H,21-22H2,1-2H3/b14-13+
InChIKeyQUECROTXSAEPGR-BUHFOSPRSA-N
XLogP7.03
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.55
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
5-[(E)-2-(4-ethoxy-3-phenylmethoxyphenyl)ethenyl]-1,2,3-trimethoxybenzene
CID 166666310
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
1-(3-methoxypropoxy)-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90350663
2-[4-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 23757866
1,3-bis(phenylmethoxy)-5-[2-(4-phenylmethoxyphenyl)ethenyl]benzene
CID 53395274
N-[4-(3-methoxy-4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine
CID 739210
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
4-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-1-[2-[2-[4-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethyldisulfanyl]ethyl]pyridin-1-ium
CID 89191654

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene (CID 101267905) is 1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene is COc1cc(/C=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc(OC)c1.
What is the InChIKey of 1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene?
The InChIKey is QUECROTXSAEPGR-BUHFOSPRSA-N. The full InChI is InChI=1S/C30H28O4/c1-31-27-17-26(18-28(20-27)32-2)14-13-23-15-16-29(33-21-24-9-5-3-6-10-24)30(19-23)34-22-25-11-7-4-8-12-25/h3-20H,21-22H2,1-2H3/b14-13+.
What are the key properties of 1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene?
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene has a molecular weight of 452.55 g/mol, XLogP of 7.03, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 101267905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).