1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene

C19H22O4 — CID 6709920

IUPAC1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene
SMILESC=Cc1ccc(OCOCCOC)cc1OCc1ccccc1
InChIInChI=1S/C19H22O4/c1-3-17-9-10-18(23-15-21-12-11-20-2)13-19(17)22-14-16-7-5-4-6-8-16/h3-10,13H,1,11-12,14-15H2,2H3
InChIKeyPYWRISUXCOJUMB-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.91
Rot. Bonds10

About 1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene

1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene (PubChem CID 6709920) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene
PubChem CID6709920
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene
SMILESC=Cc1ccc(OCOCCOC)cc1OCc1ccccc1
InChIInChI=1S/C19H22O4/c1-3-17-9-10-18(23-15-21-12-11-20-2)13-19(17)22-14-16-7-5-4-6-8-16/h3-10,13H,1,11-12,14-15H2,2H3
InChIKeyPYWRISUXCOJUMB-UHFFFAOYSA-N
XLogP3.91
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-2-[2,4-bis(phenylmethoxy)phenyl]ethenyl]-2-(methoxymethoxy)-4-phenylmethoxybenzene
CID 52916293
3-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]prop-2-enoic acid
CID 68550256
2-ethenyl-3-phenylmethoxynaphthalene
CID 102243769
1-ethenyl-2-methyl-3,5-bis(phenylmethoxy)benzene
CID 123206589
1-ethenyl-4-(phenylmethoxymethoxy)benzene
CID 54554930
2-(methoxymethoxy)-1-(2-nitroethenyl)-4-phenylmethoxybenzene
CID 72671041
2-(2-ethenyl-4-phenylmethoxyphenoxy)acetic acid
CID 22261154
(Z)-3-(4-methoxy-2-phenylmethoxyphenyl)-2-phenylprop-2-enoic acid
CID 22679856
4-(2-methoxyethoxymethoxy)phenol
CID 21223145
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
1-ethenyl-2-methoxy-3-phenylmethoxybenzene
CID 23251754
3-hydroxy-2-[4-(2-methoxyethoxy)-2-phenylmethoxyphenyl]propanal
CID 91202911

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene?
The IUPAC name of 1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene (CID 6709920) is 1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene.
What is the SMILES notation for 1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene?
The canonical SMILES for 1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene is C=Cc1ccc(OCOCCOC)cc1OCc1ccccc1.
What is the InChIKey of 1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene?
The InChIKey is PYWRISUXCOJUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-3-17-9-10-18(23-15-21-12-11-20-2)13-19(17)22-14-16-7-5-4-6-8-16/h3-10,13H,1,11-12,14-15H2,2H3.
What are the key properties of 1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene?
1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene has a molecular weight of 314.38 g/mol, XLogP of 3.91, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(2-methoxyethoxymethoxy)-2-phenylmethoxybenzene is sourced from PubChem (CID 6709920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).