2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one

C22H16O2 — CID 166633683

IUPAC2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one
SMILESO=c1cc1-c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H16O2/c23-22-14-21(22)19-10-12-20(13-11-19)24-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-14H,15H2
InChIKeyHWPIIOMAQPXXPM-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.84
Rot. Bonds5

About 2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one

2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one (PubChem CID 166633683) has the molecular formula C22H16O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one.

Molecular Properties

Compound Name2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one
PubChem CID166633683
Molecular FormulaC22H16O2
Molecular Weight312.37 g/mol
Exact Mass312.12
IUPAC Name2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one
SMILESO=c1cc1-c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H16O2/c23-22-14-21(22)19-10-12-20(13-11-19)24-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-14H,15H2
InChIKeyHWPIIOMAQPXXPM-UHFFFAOYSA-N
XLogP4.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one?
The IUPAC name of 2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one (CID 166633683) is 2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one.
What is the SMILES notation for 2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one?
The canonical SMILES for 2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one is O=c1cc1-c1ccc(OCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one?
The InChIKey is HWPIIOMAQPXXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O2/c23-22-14-21(22)19-10-12-20(13-11-19)24-15-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-14H,15H2.
What are the key properties of 2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one?
2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one has a molecular weight of 312.37 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-phenylphenyl)methoxy]phenyl]cycloprop-2-en-1-one is sourced from PubChem (CID 166633683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).