carbonic acid;2-methoxy-3-methylbenzoic acid

C10H12O6 — CID 69114521

IUPACcarbonic acid;2-methoxy-3-methylbenzoic acid
SMILESCOc1c(C)cccc1C(=O)O.O=C(O)O
InChIInChI=1S/C9H10O3.CH2O3/c1-6-4-3-5-7(9(10)11)8(6)12-2;2-1(3)4/h3-5H,1-2H3,(H,10,11);(H2,2,3,4)
InChIKeyQJDJJSYJIIVRMZ-UHFFFAOYSA-N
MW228.20 g/mol
LogP1.92
Rot. Bonds2

About carbonic acid;2-methoxy-3-methylbenzoic acid

carbonic acid;2-methoxy-3-methylbenzoic acid (PubChem CID 69114521) has the molecular formula C10H12O6 and a molecular weight of 228.20 g/mol. Its IUPAC name is carbonic acid;2-methoxy-3-methylbenzoic acid.

Molecular Properties

Compound Namecarbonic acid;2-methoxy-3-methylbenzoic acid
PubChem CID69114521
Molecular FormulaC10H12O6
Molecular Weight228.20 g/mol
Exact Mass228.06
IUPAC Namecarbonic acid;2-methoxy-3-methylbenzoic acid
SMILESCOc1c(C)cccc1C(=O)O.O=C(O)O
InChIInChI=1S/C9H10O3.CH2O3/c1-6-4-3-5-7(9(10)11)8(6)12-2;2-1(3)4/h3-5H,1-2H3,(H,10,11);(H2,2,3,4)
InChIKeyQJDJJSYJIIVRMZ-UHFFFAOYSA-N
XLogP1.92
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175079027
3-amino-2-methoxybenzoic acid
CID 19849158
CID 87085306
CID 87085306
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CID 174478854
3-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997
3-methyl-2-(2-methylphenyl)peroxybenzoic acid
CID 140983097
carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599
2-(4-methoxypyrimidin-2-yl)oxy-3-methylbenzoic acid
CID 114048962
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
2-(3-methoxy-3-methylbutoxy)-3-methylbenzoic acid
CID 103032563
2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226287
2-[hydroxy(phosphonooxy)phosphoryl]oxy-3-methylbenzoic acid
CID 57310076

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-methoxy-3-methylbenzoic acid?
The IUPAC name of carbonic acid;2-methoxy-3-methylbenzoic acid (CID 69114521) is carbonic acid;2-methoxy-3-methylbenzoic acid.
What is the SMILES notation for carbonic acid;2-methoxy-3-methylbenzoic acid?
The canonical SMILES for carbonic acid;2-methoxy-3-methylbenzoic acid is COc1c(C)cccc1C(=O)O.O=C(O)O.
What is the InChIKey of carbonic acid;2-methoxy-3-methylbenzoic acid?
The InChIKey is QJDJJSYJIIVRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.CH2O3/c1-6-4-3-5-7(9(10)11)8(6)12-2;2-1(3)4/h3-5H,1-2H3,(H,10,11);(H2,2,3,4).
What are the key properties of carbonic acid;2-methoxy-3-methylbenzoic acid?
carbonic acid;2-methoxy-3-methylbenzoic acid has a molecular weight of 228.20 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-methoxy-3-methylbenzoic acid is sourced from PubChem (CID 69114521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).