phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone

C22H18O2 — CID 68914261

IUPACphenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
SMILESC=CCc1ccccc1Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18O2/c1-2-8-17-9-6-7-12-21(17)24-20-15-13-19(14-16-20)22(23)18-10-4-3-5-11-18/h2-7,9-16H,1,8H2
InChIKeyQXXCTBURYPEGTD-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.44
Rot. Bonds6

About phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone

phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone (PubChem CID 68914261) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
PubChem CID68914261
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Namephenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone
SMILESC=CCc1ccccc1Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18O2/c1-2-8-17-9-6-7-12-21(17)24-20-15-13-19(14-16-20)22(23)18-10-4-3-5-11-18/h2-7,9-16H,1,8H2
InChIKeyQXXCTBURYPEGTD-UHFFFAOYSA-N
XLogP5.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

molecular nitrogen;1-phenoxy-2-prop-2-enylbenzene
CID 70452460
[4-[2-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 175364335
bis[4-(2-phenoxyphenoxy)phenyl]methanone
CID 19849453
phenyl-[4-[6-propan-2-yloxy-3,7-bis(prop-2-enyl)naphthalen-2-yl]oxyphenyl]methanone;propane
CID 144550156
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[4-[2-[[2-[4-(4-chlorobenzoyl)phenoxy]phenyl]methyl]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 58607338
phenyl-(2-prop-2-enylphenyl)methanone
CID 12026554
2-[4-(2-prop-2-enylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22681836
2-(4-methoxyphenyl)-3-[4-(2-prop-2-enylphenoxy)phenyl]propanoic acid
CID 22686452
4-phenoxy-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 121131581
(2-prop-2-enylphenyl) acetate;dihydrobromide
CID 70043796
4-[(2-prop-2-enylphenoxy)methyl]benzoic acid
CID 2252771

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone?
The IUPAC name of phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone (CID 68914261) is phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone.
What is the SMILES notation for phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone?
The canonical SMILES for phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone is C=CCc1ccccc1Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone?
The InChIKey is QXXCTBURYPEGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-2-8-17-9-6-7-12-21(17)24-20-15-13-19(14-16-20)22(23)18-10-4-3-5-11-18/h2-7,9-16H,1,8H2.
What are the key properties of phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone?
phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone has a molecular weight of 314.38 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-(2-prop-2-enylphenoxy)phenyl]methanone is sourced from PubChem (CID 68914261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).