4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid

C14H18O5 — CID 159878985

IUPAC4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1CC(=O)OC(C)(C)C
InChIInChI=1S/C14H18O5/c1-14(2,3)19-12(15)8-10-7-9(13(16)17)5-6-11(10)18-4/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyRXNKRSIODTZDTQ-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.28
Rot. Bonds4

About 4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid

4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid (PubChem CID 159878985) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
PubChem CID159878985
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid
SMILESCOc1ccc(C(=O)O)cc1CC(=O)OC(C)(C)C
InChIInChI=1S/C14H18O5/c1-14(2,3)19-12(15)8-10-7-9(13(16)17)5-6-11(10)18-4/h5-7H,8H2,1-4H3,(H,16,17)
InChIKeyRXNKRSIODTZDTQ-UHFFFAOYSA-N
XLogP2.28
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid?
The IUPAC name of 4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid (CID 159878985) is 4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid?
The canonical SMILES for 4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid is COc1ccc(C(=O)O)cc1CC(=O)OC(C)(C)C.
What is the InChIKey of 4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid?
The InChIKey is RXNKRSIODTZDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-14(2,3)19-12(15)8-10-7-9(13(16)17)5-6-11(10)18-4/h5-7H,8H2,1-4H3,(H,16,17).
What are the key properties of 4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid?
4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid has a molecular weight of 266.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 159878985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).