1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene

C61H60O7 — CID 58627170

IUPAC1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene
SMILESCCc1ccc(OCc2cc(OCc3ccc(OCc4ccc(C)cc4)c(OCc4ccc(C)cc4)c3)cc(OCc3ccc(OCc4ccc(C)cc4)c(OCc4ccc(C)cc4)c3)c2)cc1
InChIInChI=1S/C61H60O7/c1-6-47-23-27-55(28-24-47)62-42-54-31-56(63-40-52-25-29-58(65-36-48-15-7-43(2)8-16-48)60(33-52)67-38-50-19-11-45(4)12-20-50)35-57(32-54)64-41-53-26-30-59(66-37-49-17-9-44(3)10-18-49)61(34-53)68-39-51-21-13-46(5)14-22-51/h7-35H,6,36-42H2,1-5H3
InChIKeyLWVXOUUKVXVCQV-UHFFFAOYSA-N
MW905.14 g/mol
LogP14.54
Rot. Bonds22

About 1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene

1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene (PubChem CID 58627170) has the molecular formula C61H60O7 and a molecular weight of 905.14 g/mol. Its IUPAC name is 1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene
PubChem CID58627170
Molecular FormulaC61H60O7
Molecular Weight905.14 g/mol
Exact Mass904.43
IUPAC Name1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene
SMILESCCc1ccc(OCc2cc(OCc3ccc(OCc4ccc(C)cc4)c(OCc4ccc(C)cc4)c3)cc(OCc3ccc(OCc4ccc(C)cc4)c(OCc4ccc(C)cc4)c3)c2)cc1
InChIInChI=1S/C61H60O7/c1-6-47-23-27-55(28-24-47)62-42-54-31-56(63-40-52-25-29-58(65-36-48-15-7-43(2)8-16-48)60(33-52)67-38-50-19-11-45(4)12-20-50)35-57(32-54)64-41-53-26-30-59(66-37-49-17-9-44(3)10-18-49)61(34-53)68-39-51-21-13-46(5)14-22-51/h7-35H,6,36-42H2,1-5H3
InChIKeyLWVXOUUKVXVCQV-UHFFFAOYSA-N
XLogP14.54
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.14
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene
CID 58627131
methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate
CID 59204228
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene
CID 59710807
5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol
CID 58912218
2-methoxy-4-[2-(4-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methoxy]benzene
CID 157158831
1-chloro-2-methoxy-4-[(4-methylphenoxy)methyl]benzene
CID 134244114
N-[[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17055041
1-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]-N-methylmethanamine;hydrochloride
CID 6471417
2-(2-hydroxyethoxy)ethyl 4-[[3,5-bis[[3,4-bis[(4-hexoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]benzoate
CID 102411642
1,2,4-tris[(3-methylphenyl)methoxy]benzene
CID 139941740
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene?
The IUPAC name of 1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene (CID 58627170) is 1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene.
What is the SMILES notation for 1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene?
The canonical SMILES for 1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene is CCc1ccc(OCc2cc(OCc3ccc(OCc4ccc(C)cc4)c(OCc4ccc(C)cc4)c3)cc(OCc3ccc(OCc4ccc(C)cc4)c(OCc4ccc(C)cc4)c3)c2)cc1.
What is the InChIKey of 1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene?
The InChIKey is LWVXOUUKVXVCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H60O7/c1-6-47-23-27-55(28-24-47)62-42-54-31-56(63-40-52-25-29-58(65-36-48-15-7-43(2)8-16-48)60(33-52)67-38-50-19-11-45(4)12-20-50)35-57(32-54)64-41-53-26-30-59(66-37-49-17-9-44(3)10-18-49)61(34-53)68-39-51-21-13-46(5)14-22-51/h7-35H,6,36-42H2,1-5H3.
What are the key properties of 1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene?
1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene has a molecular weight of 905.14 g/mol, XLogP of 14.54, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene is sourced from PubChem (CID 58627170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).