3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one

C22H14O3 — CID 92909326

IUPAC3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one
SMILESO=C(/C=C\c1ccc2ccccc2c1)c1coc2ccccc2c1=O
InChIInChI=1S/C22H14O3/c23-20(19-14-25-21-8-4-3-7-18(21)22(19)24)12-10-15-9-11-16-5-1-2-6-17(16)13-15/h1-14H/b12-10-
InChIKeyXUONVUDEWQZQTR-BENRWUELSA-N
MW326.35 g/mol
LogP4.84
Rot. Bonds3

About 3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one

3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one (PubChem CID 92909326) has the molecular formula C22H14O3 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one.

Molecular Properties

Compound Name3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one
PubChem CID92909326
Molecular FormulaC22H14O3
Molecular Weight326.35 g/mol
Exact Mass326.09
IUPAC Name3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one
SMILESO=C(/C=C\c1ccc2ccccc2c1)c1coc2ccccc2c1=O
InChIInChI=1S/C22H14O3/c23-20(19-14-25-21-8-4-3-7-18(21)22(19)24)12-10-15-9-11-16-5-1-2-6-17(16)13-15/h1-14H/b12-10-
InChIKeyXUONVUDEWQZQTR-BENRWUELSA-N
XLogP4.84
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-3-(4-oxochromen-3-yl)prop-2-enoyl]chromen-2-one
CID 177419808
1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
CID 140808569
3-(1-benzofuran-5-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 142655195
1,7-dinaphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 86098447
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 89077412
3-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]chromen-4-one
CID 102368296
(E)-3-(3,4-dihydroxyphenyl)-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
CID 56946404
N-hydroxy-3-naphthalen-2-ylprop-2-enamide
CID 54114861
3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 563789
1-(2-hydroxy-5-nitrophenyl)-3-naphthalen-2-ylprop-2-en-1-one
CID 71325793
7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one
CID 150870125

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one?
The IUPAC name of 3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one (CID 92909326) is 3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one.
What is the SMILES notation for 3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one?
The canonical SMILES for 3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one is O=C(/C=C\c1ccc2ccccc2c1)c1coc2ccccc2c1=O.
What is the InChIKey of 3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one?
The InChIKey is XUONVUDEWQZQTR-BENRWUELSA-N. The full InChI is InChI=1S/C22H14O3/c23-20(19-14-25-21-8-4-3-7-18(21)22(19)24)12-10-15-9-11-16-5-1-2-6-17(16)13-15/h1-14H/b12-10-.
What are the key properties of 3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one?
3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one has a molecular weight of 326.35 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one is sourced from PubChem (CID 92909326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).