2-ethyl-4-methoxyphenolate

C9H10O2-2 — CID 101457575

IUPAC2-ethyl-4-methoxyphenolate
SMILES[CH2-]Cc1cc(OC)ccc1[O-]
InChIInChI=1S/C9H11O2/c1-3-7-6-8(11-2)4-5-9(7)10/h4-6,10H,1,3H2,2H3/q-1/p-1
InChIKeyFDSALHMHMLLCHE-UHFFFAOYSA-M
MW150.18 g/mol
LogP1.15
Rot. Bonds2

About 2-ethyl-4-methoxyphenolate

2-ethyl-4-methoxyphenolate (PubChem CID 101457575) has the molecular formula C9H10O2-2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-ethyl-4-methoxyphenolate.

Molecular Properties

Compound Name2-ethyl-4-methoxyphenolate
PubChem CID101457575
Molecular FormulaC9H10O2-2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-ethyl-4-methoxyphenolate
SMILES[CH2-]Cc1cc(OC)ccc1[O-]
InChIInChI=1S/C9H11O2/c1-3-7-6-8(11-2)4-5-9(7)10/h4-6,10H,1,3H2,2H3/q-1/p-1
InChIKeyFDSALHMHMLLCHE-UHFFFAOYSA-M
XLogP1.15
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-chloro-4-methoxyphenolate
CID 23710122
2-tert-butyl-4-methoxyphenolate
CID 19016621
sodium bis[(2-hydroxy-5-methoxyphenyl)methoxy]borinate
CID 139843436
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
CID 171375610
CID 171375610
2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
2-ethyl-4-methoxybenzoate
CID 23362607
[4-methoxy-2-[(3-methoxyphenoxy)methyl]phenyl]boronic acid
CID 65327836
CID 172849383
CID 172849383
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
1,2-dibutyl-4-methoxybenzene
CID 153315966
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxyphenolate?
The IUPAC name of 2-ethyl-4-methoxyphenolate (CID 101457575) is 2-ethyl-4-methoxyphenolate.
What is the SMILES notation for 2-ethyl-4-methoxyphenolate?
The canonical SMILES for 2-ethyl-4-methoxyphenolate is [CH2-]Cc1cc(OC)ccc1[O-].
What is the InChIKey of 2-ethyl-4-methoxyphenolate?
The InChIKey is FDSALHMHMLLCHE-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H11O2/c1-3-7-6-8(11-2)4-5-9(7)10/h4-6,10H,1,3H2,2H3/q-1/p-1.
What are the key properties of 2-ethyl-4-methoxyphenolate?
2-ethyl-4-methoxyphenolate has a molecular weight of 150.18 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxyphenolate is sourced from PubChem (CID 101457575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).