2-(2-methoxy-2-oxoethyl)phenolate

C9H9O3- — CID 19356399

IUPAC2-(2-methoxy-2-oxoethyl)phenolate
SMILESCOC(=O)Cc1ccccc1[O-]
InChIInChI=1S/C9H10O3/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3/p-1
InChIKeyBVBSGGBDFJUSIH-UHFFFAOYSA-M
MW165.17 g/mol
LogP0.48
Rot. Bonds2

About 2-(2-methoxy-2-oxoethyl)phenolate

2-(2-methoxy-2-oxoethyl)phenolate (PubChem CID 19356399) has the molecular formula C9H9O3- and a molecular weight of 165.17 g/mol. Its IUPAC name is 2-(2-methoxy-2-oxoethyl)phenolate.

Molecular Properties

Compound Name2-(2-methoxy-2-oxoethyl)phenolate
PubChem CID19356399
Molecular FormulaC9H9O3-
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name2-(2-methoxy-2-oxoethyl)phenolate
SMILESCOC(=O)Cc1ccccc1[O-]
InChIInChI=1S/C9H10O3/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3/p-1
InChIKeyBVBSGGBDFJUSIH-UHFFFAOYSA-M
XLogP0.48
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 2-(2-methoxy-2-oxoethyl)phenolate
CID 162306929
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
methyl 2-(2-nitrophenyl)acetate
CID 520464
sodium 2,4-bis(2-methoxy-2-oxoethyl)phenolate
CID 162321881
methyl 2-[2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]phenyl]acetate
CID 10243876
methyl 2-[2-(5-methylthiophen-2-yl)phenyl]acetate
CID 165167900
methyl 2-[2-(2,5-dihydropyrrol-1-yl)phenyl]acetate
CID 10398443
methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate
CID 69384728
methyl 2-(2-butylphenyl)acetate
CID 141125258
CID 172801156
CID 172801156

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-2-oxoethyl)phenolate?
The IUPAC name of 2-(2-methoxy-2-oxoethyl)phenolate (CID 19356399) is 2-(2-methoxy-2-oxoethyl)phenolate.
What is the SMILES notation for 2-(2-methoxy-2-oxoethyl)phenolate?
The canonical SMILES for 2-(2-methoxy-2-oxoethyl)phenolate is COC(=O)Cc1ccccc1[O-].
What is the InChIKey of 2-(2-methoxy-2-oxoethyl)phenolate?
The InChIKey is BVBSGGBDFJUSIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O3/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5,10H,6H2,1H3/p-1.
What are the key properties of 2-(2-methoxy-2-oxoethyl)phenolate?
2-(2-methoxy-2-oxoethyl)phenolate has a molecular weight of 165.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-2-oxoethyl)phenolate is sourced from PubChem (CID 19356399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).