1-ethenyl-4-(phenylmethoxymethoxy)benzene

C16H16O2 — CID 54554930

IUPAC1-ethenyl-4-(phenylmethoxymethoxy)benzene
SMILESC=Cc1ccc(OCOCc2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-2-14-8-10-16(11-9-14)18-13-17-12-15-6-4-3-5-7-15/h2-11H,1,12-13H2
InChIKeyZMMRRIVGKVIOCS-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.88
Rot. Bonds6

About 1-ethenyl-4-(phenylmethoxymethoxy)benzene

1-ethenyl-4-(phenylmethoxymethoxy)benzene (PubChem CID 54554930) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-ethenyl-4-(phenylmethoxymethoxy)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(phenylmethoxymethoxy)benzene
PubChem CID54554930
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name1-ethenyl-4-(phenylmethoxymethoxy)benzene
SMILESC=Cc1ccc(OCOCc2ccccc2)cc1
InChIInChI=1S/C16H16O2/c1-2-14-8-10-16(11-9-14)18-13-17-12-15-6-4-3-5-7-15/h2-11H,1,12-13H2
InChIKeyZMMRRIVGKVIOCS-UHFFFAOYSA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-(phenylmethoxymethoxy)benzoic acid
CID 102939337
1-[4-(phenylmethoxymethoxy)phenyl]propan-2-ol
CID 102939869
5-ethenyl-2-(4-phenylmethoxyphenyl)pyridine
CID 175646915
1-ethenyl-3-(phenylmethoxymethyl)benzene
CID 10443616
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
CID 102939339
ethenyl(phenylmethoxymethyl)silane
CID 154024550
1-(bromomethyl)-4-[(4-ethenylphenyl)methoxy]benzene
CID 4686859
1,3-dimethyl-5-(phenylmethoxymethoxy)benzene
CID 102940828
[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
1-phenylmethoxy-4-(4-phenylmethoxyphenyl)but-3-en-2-ol
CID 70426552
(1R)-1-[4-(phenylmethoxymethoxy)phenyl]propan-1-amine
CID 102939494

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(phenylmethoxymethoxy)benzene?
The IUPAC name of 1-ethenyl-4-(phenylmethoxymethoxy)benzene (CID 54554930) is 1-ethenyl-4-(phenylmethoxymethoxy)benzene.
What is the SMILES notation for 1-ethenyl-4-(phenylmethoxymethoxy)benzene?
The canonical SMILES for 1-ethenyl-4-(phenylmethoxymethoxy)benzene is C=Cc1ccc(OCOCc2ccccc2)cc1.
What is the InChIKey of 1-ethenyl-4-(phenylmethoxymethoxy)benzene?
The InChIKey is ZMMRRIVGKVIOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-2-14-8-10-16(11-9-14)18-13-17-12-15-6-4-3-5-7-15/h2-11H,1,12-13H2.
What are the key properties of 1-ethenyl-4-(phenylmethoxymethoxy)benzene?
1-ethenyl-4-(phenylmethoxymethoxy)benzene has a molecular weight of 240.30 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(phenylmethoxymethoxy)benzene is sourced from PubChem (CID 54554930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).