1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene

C23H22O2 — CID 162409717

IUPAC1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene
SMILESCOc1ccc(C(=Cc2cccc(C)c2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22O2/c1-17-5-4-6-18(15-17)16-23(19-7-11-21(24-2)12-8-19)20-9-13-22(25-3)14-10-20/h4-16H,1-3H3
InChIKeyZHQAFPRIUGAELT-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.60
Rot. Bonds5

About 1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene

1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene (PubChem CID 162409717) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene
PubChem CID162409717
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene
SMILESCOc1ccc(C(=Cc2cccc(C)c2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22O2/c1-17-5-4-6-18(15-17)16-23(19-7-11-21(24-2)12-8-19)20-9-13-22(25-3)14-10-20/h4-16H,1-3H3
InChIKeyZHQAFPRIUGAELT-UHFFFAOYSA-N
XLogP5.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxybenzoyl)-3-(3-methylphenyl)prop-2-enenitrile
CID 4828488
4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline
CID 122467021
3-[(E)-2-(4-methoxyphenyl)-2-phenylethenyl]pyridine
CID 122218067
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
1-[2,2-bis(4-methoxyphenyl)ethenyl]-4-bromobenzene
CID 66556000
N-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 54214278
1-[(Z)-1-(cyclopenten-1-yl)-2-phenylethenyl]-4-methoxybenzene
CID 162401411
4-[(Z)-2-(4-methoxyphenyl)-2-[4-[(E)-1-(4-methoxyphenyl)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 163788418
5-[(Z)-1-chloro-2-(3-methylphenyl)ethenyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 9035621
3-(3-methoxyphenyl)-2-methylprop-2-enal
CID 54057122
(Z)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 92913082
[4-[2-[4-[4-[2,2-bis(4-methoxyphenyl)ethenyl]phenyl]phenyl]-1-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]methanol
CID 58991857

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene?
The IUPAC name of 1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene (CID 162409717) is 1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene.
What is the SMILES notation for 1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene?
The canonical SMILES for 1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene is COc1ccc(C(=Cc2cccc(C)c2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene?
The InChIKey is ZHQAFPRIUGAELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O2/c1-17-5-4-6-18(15-17)16-23(19-7-11-21(24-2)12-8-19)20-9-13-22(25-3)14-10-20/h4-16H,1-3H3.
What are the key properties of 1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene?
1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene has a molecular weight of 330.43 g/mol, XLogP of 5.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(4-methoxyphenyl)ethenyl]-3-methylbenzene is sourced from PubChem (CID 162409717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).