1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene

C17H17I — CID 102522836

IUPAC1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene
SMILESCc1ccc(C/C(I)=C/c2ccccc2)c(C)c1
InChIInChI=1S/C17H17I/c1-13-8-9-16(14(2)10-13)12-17(18)11-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3/b17-11-
InChIKeyZPSYVRGVDHQWOV-BOPFTXTBSA-N
MW348.23 g/mol
LogP5.32
Rot. Bonds3

About 1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene

1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene (PubChem CID 102522836) has the molecular formula C17H17I and a molecular weight of 348.23 g/mol. Its IUPAC name is 1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene
PubChem CID102522836
Molecular FormulaC17H17I
Molecular Weight348.23 g/mol
Exact Mass348.04
IUPAC Name1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene
SMILESCc1ccc(C/C(I)=C/c2ccccc2)c(C)c1
InChIInChI=1S/C17H17I/c1-13-8-9-16(14(2)10-13)12-17(18)11-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3/b17-11-
InChIKeyZPSYVRGVDHQWOV-BOPFTXTBSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.23
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-benzylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 133143773
2-bromo-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 5074564
(E,Z)-2-bromo-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
CID 6900705
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
(2E)-2-benzylidene-N-(2,4-dimethylphenyl)butanamide
CID 101189502
2-(2,4-dimethylphenyl)-N-methyl-N-phenylacetamide
CID 100585469
2,4-dimethyl-1-(2-phenylethyl)benzene;gold
CID 173364905
(Z)-N-[4-[(2,4-dimethylphenyl)methyl]piperazin-1-yl]-1-phenylmethanimine
CID 5415240
2-(2,4-dimethylphenyl)ethanethioamide
CID 82075040
(Z)-5-(2,4-dimethylphenyl)-2-hydroxy-4-oxopent-2-enoic acid
CID 58652597
2-(2,4-dimethylphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7595587
2-benzylidene-N,N'-bis(2,4-dimethylphenyl)propanediamide
CID 7972340

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene?
The IUPAC name of 1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene (CID 102522836) is 1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene.
What is the SMILES notation for 1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene?
The canonical SMILES for 1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene is Cc1ccc(C/C(I)=C/c2ccccc2)c(C)c1.
What is the InChIKey of 1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene?
The InChIKey is ZPSYVRGVDHQWOV-BOPFTXTBSA-N. The full InChI is InChI=1S/C17H17I/c1-13-8-9-16(14(2)10-13)12-17(18)11-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3/b17-11-.
What are the key properties of 1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene?
1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene has a molecular weight of 348.23 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-iodo-3-phenylprop-2-enyl]-2,4-dimethylbenzene is sourced from PubChem (CID 102522836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).