1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane

C46H44O5 — CID 161173543

IUPAC1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane
SMILESC1CCOC1.COc1ccc(/C(=C(\c2ccccc2)c2ccc(OC)cc2)c2ccccc2)cc1.COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H24O2.C14H12O2.C4H8O/c1-29-25-17-13-23(14-18-25)27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)24-15-19-26(30-2)20-16-24;1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11;1-2-4-5-3-1/h3-20H,1-2H3;2-10H,1H3;1-4H2/b28-27+;;
InChIKeyURMSVTUEUMDNFA-JZYARHMISA-N
MW676.85 g/mol
LogP10.43
Rot. Bonds9

About 1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane

1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane (PubChem CID 161173543) has the molecular formula C46H44O5 and a molecular weight of 676.85 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane.

Molecular Properties

Compound Name1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane
PubChem CID161173543
Molecular FormulaC46H44O5
Molecular Weight676.85 g/mol
Exact Mass676.32
IUPAC Name1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane
SMILESC1CCOC1.COc1ccc(/C(=C(\c2ccccc2)c2ccc(OC)cc2)c2ccccc2)cc1.COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C28H24O2.C14H12O2.C4H8O/c1-29-25-17-13-23(14-18-25)27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)24-15-19-26(30-2)20-16-24;1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11;1-2-4-5-3-1/h3-20H,1-2H3;2-10H,1H3;1-4H2/b28-27+;;
InChIKeyURMSVTUEUMDNFA-JZYARHMISA-N
XLogP10.43
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.85
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
anisole;oxolane
CID 21469894
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
CID 71403634
(4-methoxyphenyl)-(4-morpholin-4-ylphenyl)methanone
CID 22731230
2-(4-methoxyphenyl)acetic acid;oxolane
CID 67598100
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
(4-benzoylphenyl)-phenylmethanone;ethane;methoxymethane
CID 91498275
methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate
CID 101149814
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745
1-(4-methoxyphenyl)-2-morpholin-4-yl-2-phenylethanone
CID 644374

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane?
The IUPAC name of 1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane (CID 161173543) is 1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane.
What is the SMILES notation for 1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane?
The canonical SMILES for 1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane is C1CCOC1.COc1ccc(/C(=C(\c2ccccc2)c2ccc(OC)cc2)c2ccccc2)cc1.COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane?
The InChIKey is URMSVTUEUMDNFA-JZYARHMISA-N. The full InChI is InChI=1S/C28H24O2.C14H12O2.C4H8O/c1-29-25-17-13-23(14-18-25)27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)24-15-19-26(30-2)20-16-24;1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11;1-2-4-5-3-1/h3-20H,1-2H3;2-10H,1H3;1-4H2/b28-27+;;.
What are the key properties of 1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane?
1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane has a molecular weight of 676.85 g/mol, XLogP of 10.43, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane is sourced from PubChem (CID 161173543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).