1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde

C26H20O2 — CID 175310199

IUPAC1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde
SMILESO=C(C=Cc1ccccc1)c1ccccc1.O=Cc1cccc2ccccc12
InChIInChI=1S/C15H12O.C11H8O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-12H;1-8H
InChIKeyFTPGHMWIUVEAGA-UHFFFAOYSA-N
MW364.44 g/mol
LogP6.24
Rot. Bonds4

About 1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde

1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde (PubChem CID 175310199) has the molecular formula C26H20O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde
PubChem CID175310199
Molecular FormulaC26H20O2
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Name1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde
SMILESO=C(C=Cc1ccccc1)c1ccccc1.O=Cc1cccc2ccccc12
InChIInChI=1S/C15H12O.C11H8O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-12H;1-8H
InChIKeyFTPGHMWIUVEAGA-UHFFFAOYSA-N
XLogP6.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391
1,3-diphenylprop-2-en-1-one;ethanol
CID 146424659
(E)-1-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7946173
(E)-3-[4-[(E)-2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]ethenyl]phenyl]-1-phenylprop-2-en-1-one
CID 102135410
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279
naphthalene-1-carbaldehyde;zinc
CID 88790891
(E)-1-(4-iodophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 6045199
1,3-diphenylprop-2-en-1-one;1H-pyrrole
CID 70390442
(E)-1,3-diphenylprop-2-en-1-one;ethane;propane;(E)-stilbene
CID 163750701
dihydroxy(oxo)phosphanium;(E)-1,3-diphenylprop-2-en-1-one
CID 174799278
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde?
The IUPAC name of 1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde (CID 175310199) is 1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde.
What is the SMILES notation for 1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde?
The canonical SMILES for 1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde is O=C(C=Cc1ccccc1)c1ccccc1.O=Cc1cccc2ccccc12.
What is the InChIKey of 1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde?
The InChIKey is FTPGHMWIUVEAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O.C11H8O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13;12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-12H;1-8H.
What are the key properties of 1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde?
1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde has a molecular weight of 364.44 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylprop-2-en-1-one;naphthalene-1-carbaldehyde is sourced from PubChem (CID 175310199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).