1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene

C23H22O3 — CID 71322184

IUPAC1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene
SMILESCOc1ccc(C=C(c2ccccc2)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C23H22O3/c1-24-21-15-14-19(22(25-2)23(21)26-3)16-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16H,1-3H3
InChIKeyRTDIKRGDKAWIIQ-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.30
Rot. Bonds6

About 1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene

1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene (PubChem CID 71322184) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene.

Molecular Properties

Compound Name1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene
PubChem CID71322184
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene
SMILESCOc1ccc(C=C(c2ccccc2)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C23H22O3/c1-24-21-15-14-19(22(25-2)23(21)26-3)16-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16H,1-3H3
InChIKeyRTDIKRGDKAWIIQ-UHFFFAOYSA-N
XLogP5.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.30
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-phenyl-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54454091
1,2,3-trimethoxy-4-(2-phenylethenyl)benzene
CID 53422272
1,2,3-trimethoxy-4-[(E)-2-phenylethenyl]benzene
CID 15696375
3-methyl-4-(2,3,4-trimethoxyphenyl)but-3-en-2-one
CID 73015707
1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
CID 20839497
1-(2,2-dibromoethenyl)-4-methoxynaphthalene
CID 154991789
methyl 2-methyl-3-(2,3,4-trimethoxyphenyl)prop-2-enoate
CID 73071521
benzyl (Z)-2-cyano-3-(2,3,4-trimethoxyphenyl)prop-2-enoate
CID 6275024
1,2,3-trimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
CID 6537121
1-[2-(bromomethyl)but-1-enyl]-2,3,4-trimethoxybenzene
CID 79324290
1-phenyl-N-[(2,3,4-trimethoxyphenyl)methylideneamino]methanamine
CID 3287826
(E)-2,3-bis(2,3,4-trimethoxyphenyl)prop-2-enenitrile
CID 59044578

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene?
The IUPAC name of 1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene (CID 71322184) is 1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene.
What is the SMILES notation for 1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene?
The canonical SMILES for 1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene is COc1ccc(C=C(c2ccccc2)c2ccccc2)c(OC)c1OC.
What is the InChIKey of 1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene?
The InChIKey is RTDIKRGDKAWIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3/c1-24-21-15-14-19(22(25-2)23(21)26-3)16-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-16H,1-3H3.
What are the key properties of 1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene?
1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene has a molecular weight of 346.43 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethenyl)-2,3,4-trimethoxybenzene is sourced from PubChem (CID 71322184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).