1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene

C15H12I2O — CID 122376703

IUPAC1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene
SMILESCOc1ccccc1/C(I)=C(\I)c1ccccc1
InChIInChI=1S/C15H12I2O/c1-18-13-10-6-5-9-12(13)15(17)14(16)11-7-3-2-4-8-11/h2-10H,1H3/b15-14+
InChIKeyNKODJCVYIVQUGI-CCEZHUSRSA-N
MW462.07 g/mol
LogP5.39
Rot. Bonds3

About 1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene

1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene (PubChem CID 122376703) has the molecular formula C15H12I2O and a molecular weight of 462.07 g/mol. Its IUPAC name is 1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene
PubChem CID122376703
Molecular FormulaC15H12I2O
Molecular Weight462.07 g/mol
Exact Mass461.90
IUPAC Name1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene
SMILESCOc1ccccc1/C(I)=C(\I)c1ccccc1
InChIInChI=1S/C15H12I2O/c1-18-13-10-6-5-9-12(13)15(17)14(16)11-7-3-2-4-8-11/h2-10H,1H3/b15-14+
InChIKeyNKODJCVYIVQUGI-CCEZHUSRSA-N
XLogP5.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.07
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[(E)-1,2-diiodo-2-(2-methoxyphenyl)ethenyl]benzoate
CID 122376704
2-methoxybenzoyl iodide
CID 139677083
(NE)-N-[(2-methoxyphenyl)-phenylmethylidene]hydroxylamine
CID 14927109
3-chloro-3-(2-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 76922450
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
1-[(Z)-1,2-dichloroprop-1-enyl]-2-methoxybenzene
CID 118255169
(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112
(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
1-(2-methoxyphenyl)-3-phenylbut-3-en-1-one
CID 67489510
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
2-(2-methoxybenzoyl)-3-methylbutanoic acid
CID 116922978
1-methoxy-2-[1-[1-(2-methoxyphenyl)ethenoxy]ethenyl]benzene
CID 69260601

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene?
The IUPAC name of 1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene (CID 122376703) is 1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene.
What is the SMILES notation for 1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene?
The canonical SMILES for 1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene is COc1ccccc1/C(I)=C(\I)c1ccccc1.
What is the InChIKey of 1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene?
The InChIKey is NKODJCVYIVQUGI-CCEZHUSRSA-N. The full InChI is InChI=1S/C15H12I2O/c1-18-13-10-6-5-9-12(13)15(17)14(16)11-7-3-2-4-8-11/h2-10H,1H3/b15-14+.
What are the key properties of 1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene?
1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene has a molecular weight of 462.07 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-diiodo-2-phenylethenyl]-2-methoxybenzene is sourced from PubChem (CID 122376703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).