(4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone

C18H14INO — CID 170857263

IUPAC(4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone
SMILESC=CCn1cc(C(=O)c2ccc(I)cc2)c2ccccc21
InChIInChI=1S/C18H14INO/c1-2-11-20-12-16(15-5-3-4-6-17(15)20)18(21)13-7-9-14(19)10-8-13/h2-10,12H,1,11H2
InChIKeyGBKKBMPDMMHLGY-UHFFFAOYSA-N
MW387.22 g/mol
LogP4.66
Rot. Bonds4

About (4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone

(4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone (PubChem CID 170857263) has the molecular formula C18H14INO and a molecular weight of 387.22 g/mol. Its IUPAC name is (4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone.

Molecular Properties

Compound Name(4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone
PubChem CID170857263
Molecular FormulaC18H14INO
Molecular Weight387.22 g/mol
Exact Mass387.01
IUPAC Name(4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone
SMILESC=CCn1cc(C(=O)c2ccc(I)cc2)c2ccccc21
InChIInChI=1S/C18H14INO/c1-2-11-20-12-16(15-5-3-4-6-17(15)20)18(21)13-7-9-14(19)10-8-13/h2-10,12H,1,11H2
InChIKeyGBKKBMPDMMHLGY-UHFFFAOYSA-N
XLogP4.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.22
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-decylindol-3-yl)-(4-iodophenyl)methanone
CID 170857204
2-(1-prop-2-enylindol-3-yl)ethene-1,1,2-tricarbonitrile
CID 23880072
(4-methylphenyl)-(1-propylindol-3-yl)methanone
CID 170857121
(4-methylphenyl)-[1-(2-methylpropyl)indol-3-yl]methanone
CID 102235826
2-(ethylamino)-2-methyl-1-(1-prop-2-enylindol-3-yl)propan-1-one;hydrochloride
CID 14069779
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
2-(3-acetylindol-1-yl)acetaldehyde
CID 130321343
(3-iodophenyl)-[1-(3-methylbutyl)indol-3-yl]methanone
CID 170857321
(2,2-dimethyl-1,3-dihydroinden-5-yl)-(1-pent-4-enylindol-3-yl)methanone
CID 164614068
[1-[(4-fluorophenyl)methyl]indol-3-yl]-phenylmethanone
CID 963177
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(1-prop-2-enylindol-3-yl)methanone
CID 71886045
N-(2-oxo-2-piperidin-1-ylethyl)-1-prop-2-enylindole-3-carboxamide
CID 47488355

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone?
The IUPAC name of (4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone (CID 170857263) is (4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone.
What is the SMILES notation for (4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone?
The canonical SMILES for (4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone is C=CCn1cc(C(=O)c2ccc(I)cc2)c2ccccc21.
What is the InChIKey of (4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone?
The InChIKey is GBKKBMPDMMHLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14INO/c1-2-11-20-12-16(15-5-3-4-6-17(15)20)18(21)13-7-9-14(19)10-8-13/h2-10,12H,1,11H2.
What are the key properties of (4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone?
(4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone has a molecular weight of 387.22 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodophenyl)-(1-prop-2-enylindol-3-yl)methanone is sourced from PubChem (CID 170857263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).