4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol

C17H18O3 — CID 89096007

IUPAC4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol
SMILESC=Cc1ccc(OC(C)OCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-3-14-6-10-17(11-7-14)20-13(2)19-12-15-4-8-16(18)9-5-15/h3-11,13,18H,1,12H2,2H3
InChIKeyPSBWIMRYKBXMAL-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.98
Rot. Bonds6

About 4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol

4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol (PubChem CID 89096007) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol.

Molecular Properties

Compound Name4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol
PubChem CID89096007
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol
SMILESC=Cc1ccc(OC(C)OCc2ccc(O)cc2)cc1
InChIInChI=1S/C17H18O3/c1-3-14-6-10-17(11-7-14)20-13(2)19-12-15-4-8-16(18)9-5-15/h3-11,13,18H,1,12H2,2H3
InChIKeyPSBWIMRYKBXMAL-UHFFFAOYSA-N
XLogP3.98
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
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

4-ethenylphenol;1-ethenyl-4-propan-2-yloxybenzene
CID 67420429
2-[(4-ethenylphenyl)methoxy]propan-1-ol
CID 21035602
4-ethenylphenol;propan-2-ol
CID 159910746
4-[[4-(1-ethoxyethoxy)phenyl]methyl]phenol
CID 23546598
1-ethenoxy-4-[2-[1-(4-ethenylphenoxy)ethoxy]ethoxy]benzene
CID 139881216
4-ethenylphenol;1-[1-(4-ethenylphenoxy)ethyl]pyrrolidin-2-one
CID 69079143
ethane;ethene;4-ethenylphenol
CID 178000559
1-[(4-ethenylphenyl)methylperoxy]propan-2-ol
CID 141437530
4-ethenylphenol;(4-ethenylphenyl)methanol;phosphane;vanadium
CID 158621664
[4-(1-butoxyethoxy)phenyl]methyl prop-2-enoate
CID 19782944
4-ethenylphenol;1-ethenyl-4-(1-propan-2-yloxyethoxy)benzene;(1-ethylcyclopentyl) prop-2-enoate
CID 175504080
[4-[(4-ethenylphenyl)methoxy]phenyl]methanol
CID 19105443

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol?
The IUPAC name of 4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol (CID 89096007) is 4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol.
What is the SMILES notation for 4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol?
The canonical SMILES for 4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol is C=Cc1ccc(OC(C)OCc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol?
The InChIKey is PSBWIMRYKBXMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-14-6-10-17(11-7-14)20-13(2)19-12-15-4-8-16(18)9-5-15/h3-11,13,18H,1,12H2,2H3.
What are the key properties of 4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol?
4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol has a molecular weight of 270.33 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-ethenylphenoxy)ethoxymethyl]phenol is sourced from PubChem (CID 89096007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).