2-methoxybenzoic acid;bis(propan-2-ol)

C14H24O5 — CID 130236181

IUPAC2-methoxybenzoic acid;bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.COc1ccccc1C(=O)O
InChIInChI=1S/C8H8O3.2C3H8O/c1-11-7-5-3-2-4-6(7)8(9)10;2*1-3(2)4/h2-5H,1H3,(H,9,10);2*3-4H,1-2H3
InChIKeyGDXAGKIRJVFLTN-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.17
Rot. Bonds2

About 2-methoxybenzoic acid;bis(propan-2-ol)

2-methoxybenzoic acid;bis(propan-2-ol) (PubChem CID 130236181) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-methoxybenzoic acid;bis(propan-2-ol).

Molecular Properties

Compound Name2-methoxybenzoic acid;bis(propan-2-ol)
PubChem CID130236181
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Name2-methoxybenzoic acid;bis(propan-2-ol)
SMILESCC(C)O.CC(C)O.COc1ccccc1C(=O)O
InChIInChI=1S/C8H8O3.2C3H8O/c1-11-7-5-3-2-4-6(7)8(9)10;2*1-3(2)4/h2-5H,1H3,(H,9,10);2*3-4H,1-2H3
InChIKeyGDXAGKIRJVFLTN-UHFFFAOYSA-N
XLogP2.17
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 159883753
2-methoxybenzoic acid;phenyl hydrogen carbonate
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(2R,3R)-2-hydroxy-1-(2-methoxyphenyl)-3-phenylbutan-1-one
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(2S)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723757
(2R)-2-bromo-1-(2-methoxyphenyl)propan-1-one
CID 94723758
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-(2-methoxybenzoyl)-3-methylbutanoic acid
CID 116922978
2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid
CID 117054066
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
2-chlorooxybenzoic acid;dimethyl carbonate
CID 174925399

Frequently Asked Questions

What is the IUPAC name of 2-methoxybenzoic acid;bis(propan-2-ol)?
The IUPAC name of 2-methoxybenzoic acid;bis(propan-2-ol) (CID 130236181) is 2-methoxybenzoic acid;bis(propan-2-ol).
What is the SMILES notation for 2-methoxybenzoic acid;bis(propan-2-ol)?
The canonical SMILES for 2-methoxybenzoic acid;bis(propan-2-ol) is CC(C)O.CC(C)O.COc1ccccc1C(=O)O.
What is the InChIKey of 2-methoxybenzoic acid;bis(propan-2-ol)?
The InChIKey is GDXAGKIRJVFLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.2C3H8O/c1-11-7-5-3-2-4-6(7)8(9)10;2*1-3(2)4/h2-5H,1H3,(H,9,10);2*3-4H,1-2H3.
What are the key properties of 2-methoxybenzoic acid;bis(propan-2-ol)?
2-methoxybenzoic acid;bis(propan-2-ol) has a molecular weight of 272.34 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzoic acid;bis(propan-2-ol) is sourced from PubChem (CID 130236181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).