(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one

C19H13IO — CID 6045199

IUPAC(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc2ccccc12)c1ccc(I)cc1
InChIInChI=1S/C19H13IO/c20-17-11-8-16(9-12-17)19(21)13-10-15-6-3-5-14-4-1-2-7-18(14)15/h1-13H/b13-10+
InChIKeyGDJRQYMHVXUPJX-JLHYYAGUSA-N
MW384.22 g/mol
LogP5.34
Rot. Bonds3

About (E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one

(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one (PubChem CID 6045199) has the molecular formula C19H13IO and a molecular weight of 384.22 g/mol. Its IUPAC name is (E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one
PubChem CID6045199
Molecular FormulaC19H13IO
Molecular Weight384.22 g/mol
Exact Mass384.00
IUPAC Name(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one
SMILESO=C(/C=C/c1cccc2ccccc12)c1ccc(I)cc1
InChIInChI=1S/C19H13IO/c20-17-11-8-16(9-12-17)19(21)13-10-15-6-3-5-14-4-1-2-7-18(14)15/h1-13H/b13-10+
InChIKeyGDJRQYMHVXUPJX-JLHYYAGUSA-N
XLogP5.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.22
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7946173
(E)-3-naphthalen-1-yl-1-naphthalen-2-ylprop-2-en-1-one
CID 6143927
1-(4-ethoxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 2880362
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]ethanesulfonamide
CID 56528892
N-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]prop-2-enamide
CID 101136088
3-(2,3-dichlorophenyl)-1-(4-iodophenyl)prop-2-en-1-one
CID 3472097
1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde
CID 175310199
3-naphthalen-1-yl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 5036664
2-[methyl-[4-[(E)-3-naphthalen-1-ylprop-2-enoyl]phenyl]sulfonylamino]acetic acid
CID 24650373
(1E)-1-naphthalen-1-ylpenta-1,4-dien-3-one
CID 21417039
6-[(E)-3-naphthalen-1-ylprop-2-enoyl]-4H-1,4-benzoxazin-3-one
CID 7638104
(E)-6-naphthalen-1-yl-4-oxohex-5-enoic acid
CID 5357572

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one (CID 6045199) is (E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one is O=C(/C=C/c1cccc2ccccc12)c1ccc(I)cc1.
What is the InChIKey of (E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one?
The InChIKey is GDJRQYMHVXUPJX-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H13IO/c20-17-11-8-16(9-12-17)19(21)13-10-15-6-3-5-14-4-1-2-7-18(14)15/h1-13H/b13-10+.
What are the key properties of (E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one?
(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one has a molecular weight of 384.22 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one is sourced from PubChem (CID 6045199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).