2-carboxy-5-phenylmethoxyphenolate

C14H11O4- — CID 86309199

IUPAC2-carboxy-5-phenylmethoxyphenolate
SMILESO=C(O)c1ccc(OCc2ccccc2)cc1[O-]
InChIInChI=1S/C14H12O4/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17)/p-1
InChIKeyJHMFYEFDCDOWFB-UHFFFAOYSA-M
MW243.24 g/mol
LogP2.04
Rot. Bonds4

About 2-carboxy-5-phenylmethoxyphenolate

2-carboxy-5-phenylmethoxyphenolate (PubChem CID 86309199) has the molecular formula C14H11O4- and a molecular weight of 243.24 g/mol. Its IUPAC name is 2-carboxy-5-phenylmethoxyphenolate.

Molecular Properties

Compound Name2-carboxy-5-phenylmethoxyphenolate
PubChem CID86309199
Molecular FormulaC14H11O4-
Molecular Weight243.24 g/mol
Exact Mass243.07
IUPAC Name2-carboxy-5-phenylmethoxyphenolate
SMILESO=C(O)c1ccc(OCc2ccccc2)cc1[O-]
InChIInChI=1S/C14H12O4/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17)/p-1
InChIKeyJHMFYEFDCDOWFB-UHFFFAOYSA-M
XLogP2.04
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;4-phenylmethoxyphthalic acid
CID 90802135
2-nitro-4-phenylmethoxybenzoic acid
CID 23545885
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
4-phenylmethoxy-2-propan-2-ylbenzoic acid
CID 23134235
4-phenylmethoxy-2-(1-trimethylsilylethyl)benzoic acid
CID 70159916
2-(2-methylpropoxy)-4-phenylmethoxybenzoic acid
CID 10709345
ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid
CID 90976255
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
4-phenylmethoxybenzoic acid
CID 68896574
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-5-phenylmethoxyphenolate?
The IUPAC name of 2-carboxy-5-phenylmethoxyphenolate (CID 86309199) is 2-carboxy-5-phenylmethoxyphenolate.
What is the SMILES notation for 2-carboxy-5-phenylmethoxyphenolate?
The canonical SMILES for 2-carboxy-5-phenylmethoxyphenolate is O=C(O)c1ccc(OCc2ccccc2)cc1[O-].
What is the InChIKey of 2-carboxy-5-phenylmethoxyphenolate?
The InChIKey is JHMFYEFDCDOWFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12O4/c15-13-8-11(6-7-12(13)14(16)17)18-9-10-4-2-1-3-5-10/h1-8,15H,9H2,(H,16,17)/p-1.
What are the key properties of 2-carboxy-5-phenylmethoxyphenolate?
2-carboxy-5-phenylmethoxyphenolate has a molecular weight of 243.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-5-phenylmethoxyphenolate is sourced from PubChem (CID 86309199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).