carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid

C12H16O6 — CID 137455638

IUPACcarbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid
SMILESCC(C)(C)Oc1ccccc1C(=O)O.O=C(O)O
InChIInChI=1S/C11H14O3.CH2O3/c1-11(2,3)14-9-7-5-4-6-8(9)10(12)13;2-1(3)4/h4-7H,1-3H3,(H,12,13);(H2,2,3,4)
InChIKeyQHPSRMZPVOMRDK-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.78
Rot. Bonds2

About carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid

carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid (PubChem CID 137455638) has the molecular formula C12H16O6 and a molecular weight of 256.25 g/mol. Its IUPAC name is carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid.

Molecular Properties

Compound Namecarbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid
PubChem CID137455638
Molecular FormulaC12H16O6
Molecular Weight256.25 g/mol
Exact Mass256.09
IUPAC Namecarbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid
SMILESCC(C)(C)Oc1ccccc1C(=O)O.O=C(O)O
InChIInChI=1S/C11H14O3.CH2O3/c1-11(2,3)14-9-7-5-4-6-8(9)10(12)13;2-1(3)4/h4-7H,1-3H3,(H,12,13);(H2,2,3,4)
InChIKeyQHPSRMZPVOMRDK-UHFFFAOYSA-N
XLogP2.78
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(2-methylpropan-2-yl)oxy]benzoic acid
CID 69362108
2-[(2-methylpropan-2-yl)oxy]benzamide
CID 23204949
2-[dibromo-(2-carboxyphenoxy)methoxy]benzoic acid
CID 142693324
calcium bis(2-[(2-methylpropan-2-yl)oxy]benzoate)
CID 141091959
2-(2-cyanopropan-2-yloxy)benzoic acid
CID 67285473
2-[2-(2-carboxyphenoxy)propan-2-yloxy]benzoic acid;decanedioic acid
CID 161061967
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-[(2-methylpropan-2-yl)oxy]benzenecarbothioamide
CID 29002040
2-(2-iodo-2-methylpropanoyl)oxybenzoic acid
CID 154609479
2-chlorooxybenzoic acid;dimethyl carbonate
CID 174925399
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
2-(3,7-dimethyloctan-3-yloxy)benzoic acid
CID 175824429

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid?
The IUPAC name of carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid (CID 137455638) is carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid.
What is the SMILES notation for carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid?
The canonical SMILES for carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid is CC(C)(C)Oc1ccccc1C(=O)O.O=C(O)O.
What is the InChIKey of carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid?
The InChIKey is QHPSRMZPVOMRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3.CH2O3/c1-11(2,3)14-9-7-5-4-6-8(9)10(12)13;2-1(3)4/h4-7H,1-3H3,(H,12,13);(H2,2,3,4).
What are the key properties of carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid?
carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid has a molecular weight of 256.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-[(2-methylpropan-2-yl)oxy]benzoic acid is sourced from PubChem (CID 137455638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).