1-(1-methoxyethoxy)-2-phenylmethoxybenzene

C16H18O3 — CID 22756308

IUPAC1-(1-methoxyethoxy)-2-phenylmethoxybenzene
SMILESCOC(C)Oc1ccccc1OCc1ccccc1
InChIInChI=1S/C16H18O3/c1-13(17-2)19-16-11-7-6-10-15(16)18-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyZAZBEOCUTOQKMU-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.64
Rot. Bonds6

About 1-(1-methoxyethoxy)-2-phenylmethoxybenzene

1-(1-methoxyethoxy)-2-phenylmethoxybenzene (PubChem CID 22756308) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(1-methoxyethoxy)-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(1-methoxyethoxy)-2-phenylmethoxybenzene
PubChem CID22756308
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Name1-(1-methoxyethoxy)-2-phenylmethoxybenzene
SMILESCOC(C)Oc1ccccc1OCc1ccccc1
InChIInChI=1S/C16H18O3/c1-13(17-2)19-16-11-7-6-10-15(16)18-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3
InChIKeyZAZBEOCUTOQKMU-UHFFFAOYSA-N
XLogP3.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-methoxyethoxy)ethoxy]-2-phenylmethoxybenzene
CID 20729029
1-(1-bromoethoxy)-2-phenylmethoxybenzene
CID 89045446
3-phenyl-2-(2-phenylmethoxyphenoxy)propan-1-amine
CID 154520924
2-(2-methoxyphenoxy)-N-(2-phenylmethoxyphenyl)propanamide
CID 17093523
N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
CID 3061511
(1S)-1-(2-phenylmethoxyphenyl)ethanamine;hydrochloride
CID 71758033
1-methyl-3-phenylmethoxy-2-propan-2-yloxybenzene
CID 174337570
methyl-[(2R)-2-methyl-3-(2-phenylmethoxyphenoxy)propyl]azanium
CID 6947943
1-methoxy-2-[(4-phenylphenyl)methoxy]benzene
CID 67858860
3-[1-(2-phenylmethoxyphenoxy)ethyl]piperidine
CID 68596615
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyethoxy)-2-phenylmethoxybenzene?
The IUPAC name of 1-(1-methoxyethoxy)-2-phenylmethoxybenzene (CID 22756308) is 1-(1-methoxyethoxy)-2-phenylmethoxybenzene.
What is the SMILES notation for 1-(1-methoxyethoxy)-2-phenylmethoxybenzene?
The canonical SMILES for 1-(1-methoxyethoxy)-2-phenylmethoxybenzene is COC(C)Oc1ccccc1OCc1ccccc1.
What is the InChIKey of 1-(1-methoxyethoxy)-2-phenylmethoxybenzene?
The InChIKey is ZAZBEOCUTOQKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-13(17-2)19-16-11-7-6-10-15(16)18-12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3.
What are the key properties of 1-(1-methoxyethoxy)-2-phenylmethoxybenzene?
1-(1-methoxyethoxy)-2-phenylmethoxybenzene has a molecular weight of 258.32 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyethoxy)-2-phenylmethoxybenzene is sourced from PubChem (CID 22756308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).