sodium 2-(4-ethenylphenyl)phenolate

C14H11NaO — CID 142700332

IUPACsodium 2-(4-ethenylphenyl)phenolate
SMILESC=Cc1ccc(-c2ccccc2[O-])cc1.[Na+]
InChIInChI=1S/C14H12O.Na/c1-2-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15;/h2-10,15H,1H2;/q;+1/p-1
InChIKeyKDOPXZORNCEDKC-UHFFFAOYSA-M
MW218.23 g/mol
LogP0.07
Rot. Bonds2

About sodium 2-(4-ethenylphenyl)phenolate

sodium 2-(4-ethenylphenyl)phenolate (PubChem CID 142700332) has the molecular formula C14H11NaO and a molecular weight of 218.23 g/mol. Its IUPAC name is sodium 2-(4-ethenylphenyl)phenolate.

Molecular Properties

Compound Namesodium 2-(4-ethenylphenyl)phenolate
PubChem CID142700332
Molecular FormulaC14H11NaO
Molecular Weight218.23 g/mol
Exact Mass218.07
IUPAC Namesodium 2-(4-ethenylphenyl)phenolate
SMILESC=Cc1ccc(-c2ccccc2[O-])cc1.[Na+]
InChIInChI=1S/C14H12O.Na/c1-2-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15;/h2-10,15H,1H2;/q;+1/p-1
InChIKeyKDOPXZORNCEDKC-UHFFFAOYSA-M
XLogP0.07
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3-tris(4-ethenylphenyl)benzene
CID 154053101
azanium 2-phenylphenolate
CID 70290125
iron(2+);bis(2-phenylphenolate)
CID 158924180
1-ethenyl-4-(2-propylphenyl)benzene
CID 90768054
2-(4-ethenylphenyl)-3,5,6-triphenylpyrazine
CID 58151664
1-[4-(4-ethenylphenyl)phenyl]-2,3,4,5,6-pentakis-phenylbenzene
CID 100913685
1-(4-ethenylphenyl)-2,4,5-trifluorobenzene
CID 44623494
2-[4-(4-ethenylphenyl)phenyl]-3,5,6-triphenylpyrazine
CID 58151656
N-(4-ethenylphenyl)-2-phenylaniline
CID 142706945
3-(4-ethenylphenyl)-4-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene
CID 59621646
1-ethenyl-4-methylbenzene;styrene
CID 159659441
1,3,5,7-tetrakis(4-ethenylphenyl)naphthalene
CID 140790330

Frequently Asked Questions

What is the IUPAC name of sodium 2-(4-ethenylphenyl)phenolate?
The IUPAC name of sodium 2-(4-ethenylphenyl)phenolate (CID 142700332) is sodium 2-(4-ethenylphenyl)phenolate.
What is the SMILES notation for sodium 2-(4-ethenylphenyl)phenolate?
The canonical SMILES for sodium 2-(4-ethenylphenyl)phenolate is C=Cc1ccc(-c2ccccc2[O-])cc1.[Na+].
What is the InChIKey of sodium 2-(4-ethenylphenyl)phenolate?
The InChIKey is KDOPXZORNCEDKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12O.Na/c1-2-11-7-9-12(10-8-11)13-5-3-4-6-14(13)15;/h2-10,15H,1H2;/q;+1/p-1.
What are the key properties of sodium 2-(4-ethenylphenyl)phenolate?
sodium 2-(4-ethenylphenyl)phenolate has a molecular weight of 218.23 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(4-ethenylphenyl)phenolate is sourced from PubChem (CID 142700332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).