ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane

C26H32O3 — CID 144963303

IUPACethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane
SMILESCC.CC(C)C.Cc1ccc(C(=O)c2ccc(Oc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C20H16O3.C4H10.C2H6/c1-14-2-4-15(5-3-14)20(22)16-6-10-18(11-7-16)23-19-12-8-17(21)9-13-19;1-4(2)3;1-2/h2-13,21H,1H3;4H,1-3H3;1-2H3
InChIKeyQSGLQTQDDJNGKY-UHFFFAOYSA-N
MW392.54 g/mol
LogP7.41
Rot. Bonds4

About ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane

ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane (PubChem CID 144963303) has the molecular formula C26H32O3 and a molecular weight of 392.54 g/mol. Its IUPAC name is ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane.

Molecular Properties

Compound Nameethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane
PubChem CID144963303
Molecular FormulaC26H32O3
Molecular Weight392.54 g/mol
Exact Mass392.24
IUPAC Nameethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane
SMILESCC.CC(C)C.Cc1ccc(C(=O)c2ccc(Oc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C20H16O3.C4H10.C2H6/c1-14-2-4-15(5-3-14)20(22)16-6-10-18(11-7-16)23-19-12-8-17(21)9-13-19;1-4(2)3;1-2/h2-13,21H,1H3;4H,1-3H3;1-2H3
InChIKeyQSGLQTQDDJNGKY-UHFFFAOYSA-N
XLogP7.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.54
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
benzene-1,4-diol;bis(4-fluorophenyl)methanone;[4-(4-methoxyphenoxy)phenyl]-(4-methylphenyl)methanone
CID 158296808
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067
[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
(4-methoxyphenyl)-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]methanone;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene;4-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]phenol
CID 157225733
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
(4-methylphenyl)-[4-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenoxy]phenyl]methanone
CID 58983765
benzene-1,4-diol;bis(4-chlorophenyl)methanone;[4-[4-[4-(4-chlorobenzoyl)phenoxy]phenoxy]phenyl]-(4-chlorophenyl)methanone
CID 159184900
1-[3-acetyl-5-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenyl]ethanone
CID 118516092
ethane;methanesulfonic acid;[4-[4-(4-methoxyphenoxy)phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90873259
(4-methoxyphenyl)-(4-methylphenyl)methanone;1-[4-[4-(4-methylphenoxy)benzoyl]phenyl]ethanone
CID 145054271

Frequently Asked Questions

What is the IUPAC name of ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane?
The IUPAC name of ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane (CID 144963303) is ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane.
What is the SMILES notation for ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane?
The canonical SMILES for ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane is CC.CC(C)C.Cc1ccc(C(=O)c2ccc(Oc3ccc(O)cc3)cc2)cc1.
What is the InChIKey of ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane?
The InChIKey is QSGLQTQDDJNGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3.C4H10.C2H6/c1-14-2-4-15(5-3-14)20(22)16-6-10-18(11-7-16)23-19-12-8-17(21)9-13-19;1-4(2)3;1-2/h2-13,21H,1H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane?
ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane has a molecular weight of 392.54 g/mol, XLogP of 7.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)methanone;2-methylpropane is sourced from PubChem (CID 144963303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).