formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene

C33H28O3 — CID 144891551

IUPACformaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
SMILESC=O.COc1ccc(-c2ccc(-c3ccc(Oc4ccc(-c5ccc(C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H26O2.CH2O/c1-23-3-5-24(6-4-23)28-13-19-31(20-14-28)34-32-21-15-29(16-22-32)26-9-7-25(8-10-26)27-11-17-30(33-2)18-12-27;1-2/h3-22H,1-2H3;1H2
InChIKeyOAHKSYHRXWJVKS-UHFFFAOYSA-N
MW472.58 g/mol
LogP8.61
Rot. Bonds6

About formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene

formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene (PubChem CID 144891551) has the molecular formula C33H28O3 and a molecular weight of 472.58 g/mol. Its IUPAC name is formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene.

Molecular Properties

Compound Nameformaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
PubChem CID144891551
Molecular FormulaC33H28O3
Molecular Weight472.58 g/mol
Exact Mass472.20
IUPAC Nameformaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
SMILESC=O.COc1ccc(-c2ccc(-c3ccc(Oc4ccc(-c5ccc(C)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H26O2.CH2O/c1-23-3-5-24(6-4-23)28-13-19-31(20-14-28)34-32-21-15-29(16-22-32)26-9-7-25(8-10-26)27-11-17-30(33-2)18-12-27;1-2/h3-22H,1-2H3;1H2
InChIKeyOAHKSYHRXWJVKS-UHFFFAOYSA-N
XLogP8.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.58
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methoxy-4-(4-methylphenoxy)benzene;sulfur monoxide
CID 91209459
methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
1-[1-(4-methoxyphenyl)ethenyl]-4-[4-(4-methylphenyl)phenoxy]benzene
CID 162199896
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
1-(113C)methoxy-4-methylbenzene
CID 166176950
(4-methoxyphenyl)-methylidene-[4-[4-[4-[4-(4-methylphenyl)sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-oxo-λ6-sulfane
CID 144623140
[4-[4-[4-[4-[4-[4-[4-(4-methoxyphenoxy)benzoyl]phenoxy]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 20643575
[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-(4-methylphenoxy)phenyl]methanone;(4-methoxyphenyl)-(4-methylphenyl)methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenyl)phenoxy]phenyl]methanone;1-[4-[4-[4-[4-(4-methylphenoxy)benzoyl]phenoxy]benzoyl]phenyl]ethanone;1-[4-[4-[4-[4-(4-methylphenoxy)phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone
CID 158259629
[4-[4-[4-(4-methoxybenzoyl)phenoxy]benzoyl]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[4-[4-[4-(4-methylphenoxy)phenyl]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenoxy]phenyl]ethanone;1-[4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenoxy]benzoyl]phenyl]phenyl]ethanone
CID 158374432
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603

Frequently Asked Questions

What is the IUPAC name of formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene?
The IUPAC name of formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene (CID 144891551) is formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene.
What is the SMILES notation for formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene?
The canonical SMILES for formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene is C=O.COc1ccc(-c2ccc(-c3ccc(Oc4ccc(-c5ccc(C)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene?
The InChIKey is OAHKSYHRXWJVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O2.CH2O/c1-23-3-5-24(6-4-23)28-13-19-31(20-14-28)34-32-21-15-29(16-22-32)26-9-7-25(8-10-26)27-11-17-30(33-2)18-12-27;1-2/h3-22H,1-2H3;1H2.
What are the key properties of formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene?
formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene has a molecular weight of 472.58 g/mol, XLogP of 8.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;1-[4-(4-methoxyphenyl)phenyl]-4-[4-(4-methylphenyl)phenoxy]benzene is sourced from PubChem (CID 144891551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).