bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane

C45H46O5 — CID 159686402

IUPACbis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane
SMILESC.C.CC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(O)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C43H38O5.2CH4/c1-42(2,31-9-17-35(44)18-10-31)33-13-25-39(26-14-33)47-37-21-5-29(6-22-37)41(46)30-7-23-38(24-8-30)48-40-27-15-34(16-28-40)43(3,4)32-11-19-36(45)20-12-32;;/h5-28,44-45H,1-4H3;2*1H4
InChIKeyMVVWWFCTSNGQSQ-UHFFFAOYSA-N
MW666.86 g/mol
LogP11.84
Rot. Bonds10

About bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane

bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane (PubChem CID 159686402) has the molecular formula C45H46O5 and a molecular weight of 666.86 g/mol. Its IUPAC name is bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane.

Molecular Properties

Compound Namebis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane
PubChem CID159686402
Molecular FormulaC45H46O5
Molecular Weight666.86 g/mol
Exact Mass666.33
IUPAC Namebis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane
SMILESC.C.CC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(O)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C43H38O5.2CH4/c1-42(2,31-9-17-35(44)18-10-31)33-13-25-39(26-14-33)47-37-21-5-29(6-22-37)41(46)30-7-23-38(24-8-30)48-40-27-15-34(16-28-40)43(3,4)32-11-19-36(45)20-12-32;;/h5-28,44-45H,1-4H3;2*1H4
InChIKeyMVVWWFCTSNGQSQ-UHFFFAOYSA-N
XLogP11.84
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.86
LogP ≤ 511.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
[4-[4-[2-[4-(4-benzoylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-phenylmethanone
CID 70475696
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-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
[4-[4-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenoxy]benzoyl]phenyl]phosphonic acid
CID 58750868
4-[2-[4-(4-bromophenoxy)phenyl]propan-2-yl]phenol
CID 14710986
4-[2-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenol
CID 134487494
triphenyl-[4-[4-[4-[2-[4-[4-(4-triphenylphosphaniumylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]phosphanium dichloride
CID 169426235
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 159184900
ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane
CID 144963303

Frequently Asked Questions

What is the IUPAC name of bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane?
The IUPAC name of bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane (CID 159686402) is bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane.
What is the SMILES notation for bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane?
The canonical SMILES for bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane is C.C.CC(C)(c1ccc(O)cc1)c1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(O)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane?
The InChIKey is MVVWWFCTSNGQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38O5.2CH4/c1-42(2,31-9-17-35(44)18-10-31)33-13-25-39(26-14-33)47-37-21-5-29(6-22-37)41(46)30-7-23-38(24-8-30)48-40-27-15-34(16-28-40)43(3,4)32-11-19-36(45)20-12-32;;/h5-28,44-45H,1-4H3;2*1H4.
What are the key properties of bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane?
bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane has a molecular weight of 666.86 g/mol, XLogP of 11.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]phenyl]methanone;methane is sourced from PubChem (CID 159686402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).