2-[2-(oxidomethyl)phenyl]acetate

C9H8O3-2 — CID 59875197

IUPAC2-[2-(oxidomethyl)phenyl]acetate
SMILESO=C([O-])Cc1ccccc1C[O-]
InChIInChI=1S/C9H9O3/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6H2,(H,11,12)/q-1/p-1
InChIKeyYMMSQVWWPJBTIU-UHFFFAOYSA-M
MW164.16 g/mol
LogP-1.16
Rot. Bonds3

About 2-[2-(oxidomethyl)phenyl]acetate

2-[2-(oxidomethyl)phenyl]acetate (PubChem CID 59875197) has the molecular formula C9H8O3-2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-[2-(oxidomethyl)phenyl]acetate.

Molecular Properties

Compound Name2-[2-(oxidomethyl)phenyl]acetate
PubChem CID59875197
Molecular FormulaC9H8O3-2
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name2-[2-(oxidomethyl)phenyl]acetate
SMILESO=C([O-])Cc1ccccc1C[O-]
InChIInChI=1S/C9H9O3/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6H2,(H,11,12)/q-1/p-1
InChIKeyYMMSQVWWPJBTIU-UHFFFAOYSA-M
XLogP-1.16
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

disodium;2-(2-oxidophenyl)acetate
CID 14326222
lithium 2-phenylacetate
CID 19205773
2-(2-diazoniophenyl)acetate
CID 172717003
disodium bis(2-(2-sulfophenyl)acetate)
CID 141231735
(2-azanidylcyclohexyl)azanide;2-(carboxylatomethyl)benzoate;platinum(4+)
CID 56843649
dicopper;methylsulfinylmethane;tetrakis(2-naphthalen-1-ylacetate);bis(2-naphthalen-1-ylacetic acid)
CID 139066806
CID 172781001
CID 172781001
CID 172781038
CID 172781038
2-[3-(carboxylatomethyl)phenyl]acetate
CID 6931669
hexakis(2-naphthalen-1-ylacetate);hexakis(oxygen(2-));hexakis(propan-2-olate);hexakis(titanium(4+))
CID 139170861
bis(2-ethylbenzoate);lead(2+)
CID 101297382
barium(2+);bis(2-ethylbenzoate)
CID 101299927

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxidomethyl)phenyl]acetate?
The IUPAC name of 2-[2-(oxidomethyl)phenyl]acetate (CID 59875197) is 2-[2-(oxidomethyl)phenyl]acetate.
What is the SMILES notation for 2-[2-(oxidomethyl)phenyl]acetate?
The canonical SMILES for 2-[2-(oxidomethyl)phenyl]acetate is O=C([O-])Cc1ccccc1C[O-].
What is the InChIKey of 2-[2-(oxidomethyl)phenyl]acetate?
The InChIKey is YMMSQVWWPJBTIU-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H9O3/c10-6-8-4-2-1-3-7(8)5-9(11)12/h1-4H,5-6H2,(H,11,12)/q-1/p-1.
What are the key properties of 2-[2-(oxidomethyl)phenyl]acetate?
2-[2-(oxidomethyl)phenyl]acetate has a molecular weight of 164.16 g/mol, XLogP of -1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxidomethyl)phenyl]acetate is sourced from PubChem (CID 59875197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).