1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene

C21H20O3 — CID 12029541

IUPAC1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
SMILESCOc1ccc(COc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20O3/c1-22-19-9-7-18(8-10-19)16-24-21-13-11-20(12-14-21)23-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3
InChIKeyFSJKMFNIQHZPGR-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.85
Rot. Bonds7

About 1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene

1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene (PubChem CID 12029541) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
PubChem CID12029541
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
SMILESCOc1ccc(COc2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H20O3/c1-22-19-9-7-18(8-10-19)16-24-21-13-11-20(12-14-21)23-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3
InChIKeyFSJKMFNIQHZPGR-UHFFFAOYSA-N
XLogP4.85
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)-1-(4-phenylmethoxyphenyl)ethanone
CID 18923783
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
(4-phenylmethoxyphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221107
2,6-bis(4-methoxyphenyl)-4-(4-phenylmethoxyphenyl)pyridine
CID 132564654
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
1-(2-(18F)fluoroethoxy)-4-[(4-methoxyphenoxy)methyl]benzene
CID 127026687
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-phenylmethoxy-4-propoxybenzene
CID 10728874
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene?
The IUPAC name of 1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene (CID 12029541) is 1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene?
The canonical SMILES for 1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene is COc1ccc(COc2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene?
The InChIKey is FSJKMFNIQHZPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-22-19-9-7-18(8-10-19)16-24-21-13-11-20(12-14-21)23-15-17-5-3-2-4-6-17/h2-14H,15-16H2,1H3.
What are the key properties of 1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene?
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene has a molecular weight of 320.39 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene is sourced from PubChem (CID 12029541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).