1-(iodomethyl)-4-prop-1-enylbenzene

C10H11I — CID 76734170

IUPAC1-(iodomethyl)-4-prop-1-enylbenzene
SMILESCC=Cc1ccc(CI)cc1
InChIInChI=1S/C10H11I/c1-2-3-9-4-6-10(8-11)7-5-9/h2-7H,8H2,1H3
InChIKeyXCSRETOBEDSYJI-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.65
Rot. Bonds2

About 1-(iodomethyl)-4-prop-1-enylbenzene

1-(iodomethyl)-4-prop-1-enylbenzene (PubChem CID 76734170) has the molecular formula C10H11I and a molecular weight of 258.10 g/mol. Its IUPAC name is 1-(iodomethyl)-4-prop-1-enylbenzene.

Molecular Properties

Compound Name1-(iodomethyl)-4-prop-1-enylbenzene
PubChem CID76734170
Molecular FormulaC10H11I
Molecular Weight258.10 g/mol
Exact Mass257.99
IUPAC Name1-(iodomethyl)-4-prop-1-enylbenzene
SMILESCC=Cc1ccc(CI)cc1
InChIInChI=1S/C10H11I/c1-2-3-9-4-6-10(8-11)7-5-9/h2-7H,8H2,1H3
InChIKeyXCSRETOBEDSYJI-UHFFFAOYSA-N
XLogP3.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4-prop-1-enylphenyl)methanol
CID 67711719
1-[(E)-prop-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991601
1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene
CID 176777881
1-(2-methylpropyl)-4-[(Z)-prop-1-enyl]benzene
CID 142899805
2-(4-prop-1-enylphenyl)acetic acid
CID 70128310
methyl (E)-3-[4-(iodomethyl)phenyl]prop-2-enoate
CID 121222493
acetonitrile;1-ethenyl-4-(iodomethyl)benzene
CID 175519273
tris(4-prop-1-enylphenyl)phosphane
CID 175722912
4-[(E)-prop-1-enyl]aniline;hydrochloride
CID 119031382
1-tert-butyl-2-(iodomethyl)-4-[(Z)-prop-1-enyl]benzene
CID 142038561
1-methyl-4-[[4-[(E)-prop-1-enyl]phenyl]methyl]piperazine
CID 20736265
CID 157355117
CID 157355117

Frequently Asked Questions

What is the IUPAC name of 1-(iodomethyl)-4-prop-1-enylbenzene?
The IUPAC name of 1-(iodomethyl)-4-prop-1-enylbenzene (CID 76734170) is 1-(iodomethyl)-4-prop-1-enylbenzene.
What is the SMILES notation for 1-(iodomethyl)-4-prop-1-enylbenzene?
The canonical SMILES for 1-(iodomethyl)-4-prop-1-enylbenzene is CC=Cc1ccc(CI)cc1.
What is the InChIKey of 1-(iodomethyl)-4-prop-1-enylbenzene?
The InChIKey is XCSRETOBEDSYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11I/c1-2-3-9-4-6-10(8-11)7-5-9/h2-7H,8H2,1H3.
What are the key properties of 1-(iodomethyl)-4-prop-1-enylbenzene?
1-(iodomethyl)-4-prop-1-enylbenzene has a molecular weight of 258.10 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(iodomethyl)-4-prop-1-enylbenzene is sourced from PubChem (CID 76734170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).