1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene

C24H23ClO3 — CID 175647412

IUPAC1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(Cc2c(/C=C/c3ccc(Cl)cc3)cc(OC)cc2OC)cc1
InChIInChI=1S/C24H23ClO3/c1-26-21-12-7-18(8-13-21)14-23-19(15-22(27-2)16-24(23)28-3)9-4-17-5-10-20(25)11-6-17/h4-13,15-16H,14H2,1-3H3/b9-4+
InChIKeyHFLYNFZJAGCQHZ-RUDMXATFSA-N
MW394.90 g/mol
LogP6.13
Rot. Bonds7

About 1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene

1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene (PubChem CID 175647412) has the molecular formula C24H23ClO3 and a molecular weight of 394.90 g/mol. Its IUPAC name is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene
PubChem CID175647412
Molecular FormulaC24H23ClO3
Molecular Weight394.90 g/mol
Exact Mass394.13
IUPAC Name1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene
SMILESCOc1ccc(Cc2c(/C=C/c3ccc(Cl)cc3)cc(OC)cc2OC)cc1
InChIInChI=1S/C24H23ClO3/c1-26-21-12-7-18(8-13-21)14-23-19(15-22(27-2)16-24(23)28-3)9-4-17-5-10-20(25)11-6-17/h4-13,15-16H,14H2,1-3H3/b9-4+
InChIKeyHFLYNFZJAGCQHZ-RUDMXATFSA-N
XLogP6.13
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.90
LogP ≤ 56.13
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

1,5-dimethoxy-3-[(E)-2-(3-methoxyphenyl)ethenyl]-2-[(4-methoxyphenyl)methyl]benzene
CID 175647423
2-bromo-1,5-dimethoxy-3-[2-(4-methoxyphenyl)ethenyl]benzene
CID 68729529
2-[(4-hydroxyphenyl)methyl]-5-methoxy-3-(2-phenylethenyl)phenol
CID 73316036
4-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methoxy]-4-oxobutanoic acid
CID 175058461
2-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylacetamide
CID 175294249
(1E,4E)-1-(3,5-dichlorophenyl)-5-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]penta-1,4-dien-3-one
CID 57399349
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
4-chloro-N-[[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]methyl]-N-phenylbutanamide
CID 175294279
3-[2,4-dimethoxy-6-[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]-N-ethylprop-2-enamide
CID 174654961
[2,4-dimethoxy-6-[2-(4-methoxyphenyl)ethenyl]phenyl]-(3,5-dimethoxyphenyl)methanol
CID 90702066
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene?
The IUPAC name of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene (CID 175647412) is 1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene is COc1ccc(Cc2c(/C=C/c3ccc(Cl)cc3)cc(OC)cc2OC)cc1.
What is the InChIKey of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene?
The InChIKey is HFLYNFZJAGCQHZ-RUDMXATFSA-N. The full InChI is InChI=1S/C24H23ClO3/c1-26-21-12-7-18(8-13-21)14-23-19(15-22(27-2)16-24(23)28-3)9-4-17-5-10-20(25)11-6-17/h4-13,15-16H,14H2,1-3H3/b9-4+.
What are the key properties of 1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene?
1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene has a molecular weight of 394.90 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(4-chlorophenyl)ethenyl]-3,5-dimethoxy-2-[(4-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 175647412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).