3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one

C26H20O2 — CID 563789

IUPAC3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc2ccccc2c1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C26H20O2/c27-25(17-15-20-14-16-22-10-4-5-11-23(22)18-20)24-12-6-7-13-26(24)28-19-21-8-2-1-3-9-21/h1-18H,19H2
InChIKeyKJXKTKQESSHFLK-UHFFFAOYSA-N
MW364.44 g/mol
LogP6.31
Rot. Bonds6

About 3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one

3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one (PubChem CID 563789) has the molecular formula C26H20O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
PubChem CID563789
Molecular FormulaC26H20O2
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Name3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
SMILESO=C(C=Cc1ccc2ccccc2c1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C26H20O2/c27-25(17-15-20-14-16-22-10-4-5-11-23(22)18-20)24-12-6-7-13-26(24)28-19-21-8-2-1-3-9-21/h1-18H,19H2
InChIKeyKJXKTKQESSHFLK-UHFFFAOYSA-N
XLogP6.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 2780937
(E)-3-(4-ethylphenyl)-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 151856282
1-(2-methoxyphenyl)-3-naphthalen-2-ylprop-2-en-1-one
CID 140808569
(E)-1-(2-hydroxyphenyl)-3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-en-1-one
CID 12681944
1-(2-hydroxyphenyl)-3-[3,4,5-tris(phenylmethoxy)phenyl]prop-2-en-1-one
CID 175537344
(E)-1-[2,6-bis(phenylmethoxy)phenyl]-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 10578039
(Z)-3-phenyl-1-(2-phenylmethoxynaphthalen-1-yl)prop-2-en-1-one
CID 92908965
(E)-3-cyclopenta-1,3-dien-1-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one
CID 6139864
(E)-1-(2-bromophenyl)-3-(3-phenylmethoxyphenyl)prop-2-en-1-one
CID 6153182
2-[2-(naphthalen-2-ylmethoxy)phenyl]-2-oxoacetic acid
CID 19004454
(E)-1-(2,4-dihydroxyphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19540627
(E)-3-(4-hydroxy-3-phenylmethoxyphenyl)prop-2-enoic acid
CID 89404903

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one?
The IUPAC name of 3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one (CID 563789) is 3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for 3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one?
The canonical SMILES for 3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one is O=C(C=Cc1ccc2ccccc2c1)c1ccccc1OCc1ccccc1.
What is the InChIKey of 3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one?
The InChIKey is KJXKTKQESSHFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O2/c27-25(17-15-20-14-16-22-10-4-5-11-23(22)18-20)24-12-6-7-13-26(24)28-19-21-8-2-1-3-9-21/h1-18H,19H2.
What are the key properties of 3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one?
3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one has a molecular weight of 364.44 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-1-(2-phenylmethoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 563789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).