[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone

C41H32O4 — CID 70475696

IUPAC[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
SMILESCC(C)(c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C41H32O4/c1-41(2,33-17-25-37(26-18-33)44-35-21-13-31(14-22-35)39(42)29-9-5-3-6-10-29)34-19-27-38(28-20-34)45-36-23-15-32(16-24-36)40(43)30-11-7-4-8-12-30/h3-28H,1-2H3
InChIKeySLJTZVXBNUKWAF-UHFFFAOYSA-N
MW588.70 g/mol
LogP10.06
Rot. Bonds10

About [4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone

[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone (PubChem CID 70475696) has the molecular formula C41H32O4 and a molecular weight of 588.70 g/mol. Its IUPAC name is [4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
PubChem CID70475696
Molecular FormulaC41H32O4
Molecular Weight588.70 g/mol
Exact Mass588.23
IUPAC Name[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
SMILESCC(C)(c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C41H32O4/c1-41(2,33-17-25-37(26-18-33)44-35-21-13-31(14-22-35)39(42)29-9-5-3-6-10-29)34-19-27-38(28-20-34)45-36-23-15-32(16-24-36)40(43)30-11-7-4-8-12-30/h3-28H,1-2H3
InChIKeySLJTZVXBNUKWAF-UHFFFAOYSA-N
XLogP10.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.70
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone with MolForge

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Related Compounds

[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone
CID 90444002
triphenyl-[4-[4-[4-[2-[4-[4-(4-triphenylphosphaniumylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]phosphanium dichloride
CID 169426235
[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 143546093
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline;bis(4-aminophenyl)methanone
CID 175338942
bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane
CID 159686402
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 4-[4-(2-phenylpropan-2-yl)benzoyl]benzoate
CID 20745872
4-[4-(2-phenylpropan-2-yl)phenoxy]benzenecarbothioamide
CID 20986191
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
bis[4-[2-[4-(4-aminophenoxy)-2-phenoxyphenyl]propan-2-yl]phenyl]methanone
CID 67683223

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone (CID 70475696) is [4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone is CC(C)(c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone?
The InChIKey is SLJTZVXBNUKWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32O4/c1-41(2,33-17-25-37(26-18-33)44-35-21-13-31(14-22-35)39(42)29-9-5-3-6-10-29)34-19-27-38(28-20-34)45-36-23-15-32(16-24-36)40(43)30-11-7-4-8-12-30/h3-28H,1-2H3.
What are the key properties of [4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone?
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone has a molecular weight of 588.70 g/mol, XLogP of 10.06, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 70475696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).