bis[4-(4-tert-butylphenoxy)phenyl]methanone

C33H34O3 — CID 130415299

IUPACbis[4-(4-tert-butylphenoxy)phenyl]methanone
SMILESCC(C)(C)c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C33H34O3/c1-32(2,3)25-11-19-29(20-12-25)35-27-15-7-23(8-16-27)31(34)24-9-17-28(18-10-24)36-30-21-13-26(14-22-30)33(4,5)6/h7-22H,1-6H3
InChIKeyVRTWCCVKUFFUJK-UHFFFAOYSA-N
MW478.63 g/mol
LogP9.10
Rot. Bonds6

About bis[4-(4-tert-butylphenoxy)phenyl]methanone

bis[4-(4-tert-butylphenoxy)phenyl]methanone (PubChem CID 130415299) has the molecular formula C33H34O3 and a molecular weight of 478.63 g/mol. Its IUPAC name is bis[4-(4-tert-butylphenoxy)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(4-tert-butylphenoxy)phenyl]methanone
PubChem CID130415299
Molecular FormulaC33H34O3
Molecular Weight478.63 g/mol
Exact Mass478.25
IUPAC Namebis[4-(4-tert-butylphenoxy)phenyl]methanone
SMILESCC(C)(C)c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C33H34O3/c1-32(2,3)25-11-19-29(20-12-25)35-27-15-7-23(8-16-27)31(34)24-9-17-28(18-10-24)36-30-21-13-26(14-22-30)33(4,5)6/h7-22H,1-6H3
InChIKeyVRTWCCVKUFFUJK-UHFFFAOYSA-N
XLogP9.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.63
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone
CID 162436505
1-[4-[4-(4-tert-butylphenoxy)phenoxy]phenyl]-2,2-dimethylpropan-1-one
CID 20643573
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane
CID 159686402
4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline;bis(4-aminophenyl)methanone
CID 175338942
[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-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]methanone
CID 90444002
4-[4-[4-[4-[3-[4-[4-(4-tert-butylphenoxy)benzoyl]phenoxy]-2,3-dimethylbutan-2-yl]phenyl]phenoxy]benzoyl]phenolate
CID 153361597
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871

Frequently Asked Questions

What is the IUPAC name of bis[4-(4-tert-butylphenoxy)phenyl]methanone?
The IUPAC name of bis[4-(4-tert-butylphenoxy)phenyl]methanone (CID 130415299) is bis[4-(4-tert-butylphenoxy)phenyl]methanone.
What is the SMILES notation for bis[4-(4-tert-butylphenoxy)phenyl]methanone?
The canonical SMILES for bis[4-(4-tert-butylphenoxy)phenyl]methanone is CC(C)(C)c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of bis[4-(4-tert-butylphenoxy)phenyl]methanone?
The InChIKey is VRTWCCVKUFFUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34O3/c1-32(2,3)25-11-19-29(20-12-25)35-27-15-7-23(8-16-27)31(34)24-9-17-28(18-10-24)36-30-21-13-26(14-22-30)33(4,5)6/h7-22H,1-6H3.
What are the key properties of bis[4-(4-tert-butylphenoxy)phenyl]methanone?
bis[4-(4-tert-butylphenoxy)phenyl]methanone has a molecular weight of 478.63 g/mol, XLogP of 9.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-tert-butylphenoxy)phenyl]methanone is sourced from PubChem (CID 130415299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).