sodium 4-prop-2-enylphenolate

C9H9NaO — CID 23693215

IUPACsodium 4-prop-2-enylphenolate
SMILESC=CCc1ccc([O-])cc1.[Na+]
InChIInChI=1S/C9H10O.Na/c1-2-3-8-4-6-9(10)7-5-8;/h2,4-7,10H,1,3H2;/q;+1/p-1
InChIKeyKNPYUVMFIRIWFX-UHFFFAOYSA-M
MW156.16 g/mol
LogP-1.51
Rot. Bonds2

About sodium 4-prop-2-enylphenolate

sodium 4-prop-2-enylphenolate (PubChem CID 23693215) has the molecular formula C9H9NaO and a molecular weight of 156.16 g/mol. Its IUPAC name is sodium 4-prop-2-enylphenolate.

Molecular Properties

Compound Namesodium 4-prop-2-enylphenolate
PubChem CID23693215
Molecular FormulaC9H9NaO
Molecular Weight156.16 g/mol
Exact Mass156.06
IUPAC Namesodium 4-prop-2-enylphenolate
SMILESC=CCc1ccc([O-])cc1.[Na+]
InChIInChI=1S/C9H10O.Na/c1-2-3-8-4-6-9(10)7-5-8;/h2,4-7,10H,1,3H2;/q;+1/p-1
InChIKeyKNPYUVMFIRIWFX-UHFFFAOYSA-M
XLogP-1.51
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
(4-prop-2-enylphenyl)boronic acid
CID 21186363
prop-2-enylbenzene
CID 159998516
bis(4-prop-2-enylphenyl)iodanium
CID 87130865
methane;1-methyl-4-prop-2-enylbenzene
CID 165001357
N,4-bis(prop-2-enyl)aniline
CID 68976817
prop-2-enylbenzene;dihydrochloride
CID 174768742
phosphane;prop-2-enylbenzene
CID 87328808
CID 173215164
CID 173215164
4-prop-2-enylbenzenesulfonic acid
CID 19098643
4-[4-(4-prop-2-enylphenyl)phenyl]aniline
CID 123704346
4-prop-2-enyl-N-(4-prop-2-enylphenyl)-N-[4-[4-(4-prop-2-enyl-N-(4-prop-2-enylphenyl)anilino)phenyl]phenyl]aniline
CID 58113467

Frequently Asked Questions

What is the IUPAC name of sodium 4-prop-2-enylphenolate?
The IUPAC name of sodium 4-prop-2-enylphenolate (CID 23693215) is sodium 4-prop-2-enylphenolate.
What is the SMILES notation for sodium 4-prop-2-enylphenolate?
The canonical SMILES for sodium 4-prop-2-enylphenolate is C=CCc1ccc([O-])cc1.[Na+].
What is the InChIKey of sodium 4-prop-2-enylphenolate?
The InChIKey is KNPYUVMFIRIWFX-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O.Na/c1-2-3-8-4-6-9(10)7-5-8;/h2,4-7,10H,1,3H2;/q;+1/p-1.
What are the key properties of sodium 4-prop-2-enylphenolate?
sodium 4-prop-2-enylphenolate has a molecular weight of 156.16 g/mol, XLogP of -1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-prop-2-enylphenolate is sourced from PubChem (CID 23693215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).