1-(2,2-dimethoxyethoxy)-4-phenoxybenzene

C16H18O4 — CID 19424117

IUPAC1-(2,2-dimethoxyethoxy)-4-phenoxybenzene
SMILESCOC(COc1ccc(Oc2ccccc2)cc1)OC
InChIInChI=1S/C16H18O4/c1-17-16(18-2)12-19-13-8-10-15(11-9-13)20-14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3
InChIKeyNMRVPHOTWQHBBE-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.48
Rot. Bonds7

About 1-(2,2-dimethoxyethoxy)-4-phenoxybenzene

1-(2,2-dimethoxyethoxy)-4-phenoxybenzene (PubChem CID 19424117) has the molecular formula C16H18O4 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethoxy)-4-phenoxybenzene.

Molecular Properties

Compound Name1-(2,2-dimethoxyethoxy)-4-phenoxybenzene
PubChem CID19424117
Molecular FormulaC16H18O4
Molecular Weight274.32 g/mol
Exact Mass274.12
IUPAC Name1-(2,2-dimethoxyethoxy)-4-phenoxybenzene
SMILESCOC(COc1ccc(Oc2ccccc2)cc1)OC
InChIInChI=1S/C16H18O4/c1-17-16(18-2)12-19-13-8-10-15(11-9-13)20-14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3
InChIKeyNMRVPHOTWQHBBE-UHFFFAOYSA-N
XLogP3.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-(4-phenoxyphenoxy)propan-2-amine
CID 107506606
4-[4-(2-methylpropoxy)phenoxy]-N,N-diphenylaniline
CID 58701260
4-(2,2-dimethoxyethoxy)-1,2-dimethylbenzene
CID 66223394
2-[4-(2,2-dimethoxyethoxy)phenyl]ethanol
CID 69168508
1-(4-phenoxyphenoxy)-N-propylpropan-2-amine
CID 63474715
N-methyl-1-(4-phenoxyphenoxy)pentan-2-amine
CID 63474716
(2R)-1-(2,2-dimethoxyethylamino)-3-phenoxypropan-2-ol
CID 2421328
4-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
CID 22247669
4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane
CID 143870397
2,3-difluorobutoxybenzene
CID 53412752
N-(4-ethoxyphenyl)-4-methoxy-N-(4-phenoxyphenyl)aniline
CID 54107387
1-(4-methylpentoxy)-4-phenoxybenzene
CID 118535405

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethoxy)-4-phenoxybenzene?
The IUPAC name of 1-(2,2-dimethoxyethoxy)-4-phenoxybenzene (CID 19424117) is 1-(2,2-dimethoxyethoxy)-4-phenoxybenzene.
What is the SMILES notation for 1-(2,2-dimethoxyethoxy)-4-phenoxybenzene?
The canonical SMILES for 1-(2,2-dimethoxyethoxy)-4-phenoxybenzene is COC(COc1ccc(Oc2ccccc2)cc1)OC.
What is the InChIKey of 1-(2,2-dimethoxyethoxy)-4-phenoxybenzene?
The InChIKey is NMRVPHOTWQHBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4/c1-17-16(18-2)12-19-13-8-10-15(11-9-13)20-14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3.
What are the key properties of 1-(2,2-dimethoxyethoxy)-4-phenoxybenzene?
1-(2,2-dimethoxyethoxy)-4-phenoxybenzene has a molecular weight of 274.32 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethoxy)-4-phenoxybenzene is sourced from PubChem (CID 19424117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).