1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one

C21H16O2 — CID 67385176

IUPAC1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H16O2/c22-21(15-14-17-8-3-1-4-9-17)18-10-7-13-20(16-18)23-19-11-5-2-6-12-19/h1-16H
InChIKeyAIDRVNSGSRTXPJ-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.38
Rot. Bonds5

About 1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one

1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one (PubChem CID 67385176) has the molecular formula C21H16O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one
PubChem CID67385176
Molecular FormulaC21H16O2
Molecular Weight300.36 g/mol
Exact Mass300.12
IUPAC Name1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one
SMILESO=C(C=Cc1ccccc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H16O2/c22-21(15-14-17-8-3-1-4-9-17)18-10-7-13-20(16-18)23-19-11-5-2-6-12-19/h1-16H
InChIKeyAIDRVNSGSRTXPJ-UHFFFAOYSA-N
XLogP5.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.38
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

(E)-3-(4-phenoxyphenyl)-1-phenylprop-2-en-1-one
CID 6440216
(E)-1-(4-phenoxyphenyl)-3-phenylprop-2-en-1-one
CID 5355679
(E)-3-phenyl-1-[3-(trifluoromethoxy)phenyl]prop-2-en-1-one
CID 146008205
(E)-3-[4-[(E)-3-oxo-3-(4-phenoxyphenyl)prop-1-enyl]phenyl]-1-(4-phenoxyphenyl)prop-2-en-1-one
CID 171358471
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
(E)-1-(1,3-benzodioxol-5-yl)-3-(3-phenoxyphenyl)prop-2-en-1-one
CID 7947642
(E)-1-[3,5-bis[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenylprop-2-en-1-one
CID 639832
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
3-[(E)-3-phenylprop-2-enoyl]oxybenzoic acid
CID 54854728
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
(E)-3-phenyl-1-(3-propan-2-ylphenyl)prop-2-en-1-one
CID 146007202

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one?
The IUPAC name of 1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one (CID 67385176) is 1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for 1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one?
The canonical SMILES for 1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one is O=C(C=Cc1ccccc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of 1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one?
The InChIKey is AIDRVNSGSRTXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O2/c22-21(15-14-17-8-3-1-4-9-17)18-10-7-13-20(16-18)23-19-11-5-2-6-12-19/h1-16H.
What are the key properties of 1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one?
1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one has a molecular weight of 300.36 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxyphenyl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 67385176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).