[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone

C43H38O4 — CID 90444002

IUPAC[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone
SMILESCC(C)(c1ccccc1)c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(O)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C43H38O4/c1-42(2,32-8-6-5-7-9-32)34-16-26-39(27-17-34)46-37-22-10-30(11-23-37)41(45)31-12-24-38(25-13-31)47-40-28-18-35(19-29-40)43(3,4)33-14-20-36(44)21-15-33/h5-29,44H,1-4H3
InChIKeyZZOYAQIDEOGMFB-UHFFFAOYSA-N
MW618.77 g/mol
LogP10.86
Rot. Bonds10

About [4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone

[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone (PubChem CID 90444002) has the molecular formula C43H38O4 and a molecular weight of 618.77 g/mol. Its IUPAC name is [4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone.

Molecular Properties

Compound Name[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone
PubChem CID90444002
Molecular FormulaC43H38O4
Molecular Weight618.77 g/mol
Exact Mass618.28
IUPAC Name[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone
SMILESCC(C)(c1ccccc1)c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(O)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C43H38O4/c1-42(2,32-8-6-5-7-9-32)34-16-26-39(27-17-34)46-37-22-10-30(11-23-37)41(45)31-12-24-38(25-13-31)47-40-28-18-35(19-29-40)43(3,4)33-14-20-36(44)21-15-33/h5-29,44H,1-4H3
InChIKeyZZOYAQIDEOGMFB-UHFFFAOYSA-N
XLogP10.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.77
LogP ≤ 510.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone with MolForge

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Related Compounds

bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane
CID 159686402
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
triphenyl-[4-[4-[4-[2-[4-[4-(4-triphenylphosphaniumylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]phosphanium dichloride
CID 169426235
[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl] [4-(2-phenylpropan-2-yl)phenyl] carbonate
CID 58351625
4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline;bis(4-aminophenyl)methanone
CID 175338942
bis[4-(4-tert-butylphenoxy)phenyl]methanone
CID 130415299
[4-[4-[2-[4-[4-[4-[2-(4-benzoylphenoxy)propan-2-yl]phenoxy]benzoyl]phenoxy]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 143546093
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
[4-[2-(4-methylphenyl)propan-2-yl]phenyl] 4-[4-(2-phenylpropan-2-yl)benzoyl]benzoate
CID 20745872
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067

Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone?
The IUPAC name of [4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone (CID 90444002) is [4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone.
What is the SMILES notation for [4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone?
The canonical SMILES for [4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone is CC(C)(c1ccccc1)c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(O)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone?
The InChIKey is ZZOYAQIDEOGMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38O4/c1-42(2,32-8-6-5-7-9-32)34-16-26-39(27-17-34)46-37-22-10-30(11-23-37)41(45)31-12-24-38(25-13-31)47-40-28-18-35(19-29-40)43(3,4)33-14-20-36(44)21-15-33/h5-29,44H,1-4H3.
What are the key properties of [4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone?
[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone has a molecular weight of 618.77 g/mol, XLogP of 10.86, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone is sourced from PubChem (CID 90444002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).