[methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene

C18H22O5 — CID 57002488

IUPAC[methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene
SMILESCOC(OCc1ccccc1)OC(OC)OCc1ccccc1
InChIInChI=1S/C18H22O5/c1-19-17(21-13-15-9-5-3-6-10-15)23-18(20-2)22-14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKeyAWCRUOGGUGOOID-UHFFFAOYSA-N
MW318.37 g/mol
LogP3.30
Rot. Bonds10

About [methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene

[methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene (PubChem CID 57002488) has the molecular formula C18H22O5 and a molecular weight of 318.37 g/mol. Its IUPAC name is [methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene.

Molecular Properties

Compound Name[methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene
PubChem CID57002488
Molecular FormulaC18H22O5
Molecular Weight318.37 g/mol
Exact Mass318.15
IUPAC Name[methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene
SMILESCOC(OCc1ccccc1)OC(OC)OCc1ccccc1
InChIInChI=1S/C18H22O5/c1-19-17(21-13-15-9-5-3-6-10-15)23-18(20-2)22-14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3
InChIKeyAWCRUOGGUGOOID-UHFFFAOYSA-N
XLogP3.30
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[chlorosulfonyloxy(methoxy)methoxy]methylbenzene
CID 175443865
1-[[bis[(4-methoxyphenyl)methoxy]methoxy-[(4-methoxyphenyl)methoxy]methoxy]methyl]-4-methoxybenzene
CID 66849270
2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586
1,3,4-trimethoxybutan-2-yloxymethylbenzene
CID 561767
[(1R)-1-methoxyprop-2-enoxy]methylbenzene
CID 126647784
1,1'-biphenyl;dimethoxymethoxy(dimethoxy)methane
CID 69331067
[(2R)-3-methylbutan-2-yl]oxymethylbenzene
CID 59976472
1-chloroethoxymethylbenzene
CID 12510706
1-bromo-1-phenylmethoxypropan-2-ol
CID 67553340
methoxymethylbenzene;silane
CID 174277199
methoxymethylbenzene;vanadium
CID 167445376
benzhydryloxymethylbenzene
CID 11437288

Frequently Asked Questions

What is the IUPAC name of [methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene?
The IUPAC name of [methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene (CID 57002488) is [methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene.
What is the SMILES notation for [methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene?
The canonical SMILES for [methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene is COC(OCc1ccccc1)OC(OC)OCc1ccccc1.
What is the InChIKey of [methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene?
The InChIKey is AWCRUOGGUGOOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O5/c1-19-17(21-13-15-9-5-3-6-10-15)23-18(20-2)22-14-16-11-7-4-8-12-16/h3-12,17-18H,13-14H2,1-2H3.
What are the key properties of [methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene?
[methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene has a molecular weight of 318.37 g/mol, XLogP of 3.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [methoxy-[methoxy(phenylmethoxy)methoxy]methoxy]methylbenzene is sourced from PubChem (CID 57002488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).