1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene

C30H28O2 — CID 102177255

IUPAC1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene
SMILESCOc1ccccc1/C(=C(\c1ccccc1C)c1ccccc1OC)c1ccccc1C
InChIInChI=1S/C30H28O2/c1-21-13-5-7-15-23(21)29(25-17-9-11-19-27(25)31-3)30(24-16-8-6-14-22(24)2)26-18-10-12-20-28(26)32-4/h5-20H,1-4H3/b30-29+
InChIKeyBLPYQUORDMPXGQ-QVIHXGFCSA-N
MW420.55 g/mol
LogP7.33
Rot. Bonds6

About 1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene

1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene (PubChem CID 102177255) has the molecular formula C30H28O2 and a molecular weight of 420.55 g/mol. Its IUPAC name is 1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene.

Molecular Properties

Compound Name1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene
PubChem CID102177255
Molecular FormulaC30H28O2
Molecular Weight420.55 g/mol
Exact Mass420.21
IUPAC Name1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene
SMILESCOc1ccccc1/C(=C(\c1ccccc1C)c1ccccc1OC)c1ccccc1C
InChIInChI=1S/C30H28O2/c1-21-13-5-7-15-23(21)29(25-17-9-11-19-27(25)31-3)30(24-16-8-6-14-22(24)2)26-18-10-12-20-28(26)32-4/h5-20H,1-4H3/b30-29+
InChIKeyBLPYQUORDMPXGQ-QVIHXGFCSA-N
XLogP7.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 57.33
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

(2,6-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722767
methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride
CID 155598920
1-[(Z)-1,2-dichloroprop-1-enyl]-2-methoxybenzene
CID 118255169
2-hydroxy-2-(2-methoxyphenyl)-1-(2-methylphenyl)ethanone
CID 159768734
methyl 2-methoxy-N-[4-[1-(2-methylphenyl)ethylideneamino]phenyl]benzenecarboximidate
CID 144967880
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-methoxy-2-[1-[1-(2-methoxyphenyl)ethenoxy]ethenyl]benzene
CID 69260601
2-methoxybenzoyl iodide
CID 139677083
CID 135043978
CID 135043978
(5-amino-2-methoxyphenyl)-(2-methylphenyl)methanone
CID 82084658
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene?
The IUPAC name of 1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene (CID 102177255) is 1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene.
What is the SMILES notation for 1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene?
The canonical SMILES for 1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene is COc1ccccc1/C(=C(\c1ccccc1C)c1ccccc1OC)c1ccccc1C.
What is the InChIKey of 1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene?
The InChIKey is BLPYQUORDMPXGQ-QVIHXGFCSA-N. The full InChI is InChI=1S/C30H28O2/c1-21-13-5-7-15-23(21)29(25-17-9-11-19-27(25)31-3)30(24-16-8-6-14-22(24)2)26-18-10-12-20-28(26)32-4/h5-20H,1-4H3/b30-29+.
What are the key properties of 1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene?
1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene has a molecular weight of 420.55 g/mol, XLogP of 7.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene is sourced from PubChem (CID 102177255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).