2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene

C29H28O4 — CID 170099618

IUPAC2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene
SMILESCOC1=CC(C)C=C(Oc2ccc(Cc3ccc(Oc4ccc(OC)cc4)cc3)cc2)C=C1
InChIInChI=1S/C29H28O4/c1-21-18-28(31-3)16-17-29(19-21)33-26-10-6-23(7-11-26)20-22-4-8-25(9-5-22)32-27-14-12-24(30-2)13-15-27/h4-19,21H,20H2,1-3H3
InChIKeyRBJGOHKJBZASMP-UHFFFAOYSA-N
MW440.54 g/mol
LogP7.08
Rot. Bonds8

About 2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene

2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene (PubChem CID 170099618) has the molecular formula C29H28O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene
PubChem CID170099618
Molecular FormulaC29H28O4
Molecular Weight440.54 g/mol
Exact Mass440.20
IUPAC Name2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene
SMILESCOC1=CC(C)C=C(Oc2ccc(Cc3ccc(Oc4ccc(OC)cc4)cc3)cc2)C=C1
InChIInChI=1S/C29H28O4/c1-21-18-28(31-3)16-17-29(19-21)33-26-10-6-23(7-11-26)20-22-4-8-25(9-5-22)32-27-14-12-24(30-2)13-15-27/h4-19,21H,20H2,1-3H3
InChIKeyRBJGOHKJBZASMP-UHFFFAOYSA-N
XLogP7.08
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene with MolForge

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Related Compounds

ethane;2-(4-methoxyphenoxy)-7-methylcyclohepta-1,3,5-triene
CID 143418654
ethane;1-methoxy-4-[[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]methyl]benzene
CID 91541647
4-[[4-(4-methoxyphenoxy)phenyl]methyl]-1,2-dimethylbenzene
CID 58598667
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775
1-benzyl-4-methoxybenzene;molecular nitrogen
CID 175140604
1-methoxy-4-[(4-propylphenyl)methyl]benzene
CID 67608407
(4-methoxyphenyl)-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenyl]methanone
CID 20789588
4-[4-[4-[(4-methoxyphenyl)methyl]phenoxy]phenyl]sulfonyl-1,2-dimethylbenzene
CID 58427648
ethane;1-phenoxy-4-[(4-phenoxyphenyl)methyl]benzene
CID 143793194
6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 177451531
4-chloro-6-[(4-methoxyphenyl)methyl]-1,3,5-triazin-2-amine
CID 83240227
1-butoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 145063136

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene?
The IUPAC name of 2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene (CID 170099618) is 2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene is COC1=CC(C)C=C(Oc2ccc(Cc3ccc(Oc4ccc(OC)cc4)cc3)cc2)C=C1.
What is the InChIKey of 2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene?
The InChIKey is RBJGOHKJBZASMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O4/c1-21-18-28(31-3)16-17-29(19-21)33-26-10-6-23(7-11-26)20-22-4-8-25(9-5-22)32-27-14-12-24(30-2)13-15-27/h4-19,21H,20H2,1-3H3.
What are the key properties of 2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene?
2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene has a molecular weight of 440.54 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-[[4-(4-methoxyphenoxy)phenyl]methyl]phenoxy]-7-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 170099618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).