4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene

C31H32O3 — CID 58627131

IUPAC4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene
SMILESCCc1ccc(OCc2ccc(OCc3ccc(C)cc3)c(OCc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C31H32O3/c1-4-25-13-16-29(17-14-25)32-22-28-15-18-30(33-20-26-9-5-23(2)6-10-26)31(19-28)34-21-27-11-7-24(3)8-12-27/h5-19H,4,20-22H2,1-3H3
InChIKeyAVOZGAKJQPNEQF-UHFFFAOYSA-N
MW452.59 g/mol
LogP7.60
Rot. Bonds10

About 4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene

4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene (PubChem CID 58627131) has the molecular formula C31H32O3 and a molecular weight of 452.59 g/mol. Its IUPAC name is 4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene
PubChem CID58627131
Molecular FormulaC31H32O3
Molecular Weight452.59 g/mol
Exact Mass452.24
IUPAC Name4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene
SMILESCCc1ccc(OCc2ccc(OCc3ccc(C)cc3)c(OCc3ccc(C)cc3)c2)cc1
InChIInChI=1S/C31H32O3/c1-4-25-13-16-29(17-14-25)32-22-28-15-18-30(33-20-26-9-5-23(2)6-10-26)31(19-28)34-21-27-11-7-24(3)8-12-27/h5-19H,4,20-22H2,1-3H3
InChIKeyAVOZGAKJQPNEQF-UHFFFAOYSA-N
XLogP7.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.59
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]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

1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene
CID 58627170
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
methyl 4-[3,5-bis[[3,4-bis[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenyl]benzoate
CID 59204228
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
1,2,4-tris[(3-methylphenyl)methoxy]benzene
CID 139941740
2-[3-ethoxy-4-[(4-methylphenyl)methoxy]phenyl]acetic acid
CID 7139432
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
4-[[2-[(4-cyanophenyl)methoxy]-4-methylphenoxy]methyl]benzonitrile
CID 143291825
N-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-(4-methoxyphenyl)methanamine
CID 4725302

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene?
The IUPAC name of 4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene (CID 58627131) is 4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene.
What is the SMILES notation for 4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene?
The canonical SMILES for 4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene is CCc1ccc(OCc2ccc(OCc3ccc(C)cc3)c(OCc3ccc(C)cc3)c2)cc1.
What is the InChIKey of 4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene?
The InChIKey is AVOZGAKJQPNEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32O3/c1-4-25-13-16-29(17-14-25)32-22-28-15-18-30(33-20-26-9-5-23(2)6-10-26)31(19-28)34-21-27-11-7-24(3)8-12-27/h5-19H,4,20-22H2,1-3H3.
What are the key properties of 4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene?
4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene has a molecular weight of 452.59 g/mol, XLogP of 7.60, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenoxy)methyl]-1,2-bis[(4-methylphenyl)methoxy]benzene is sourced from PubChem (CID 58627131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).