5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid

C14H18O6 — CID 79624210

IUPAC5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid
SMILESCOC(=O)C(C)(C)COc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C14H18O6/c1-14(2,13(17)19-4)8-20-11-6-5-9(18-3)7-10(11)12(15)16/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyPIYUTIYLDVUBLV-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.97
Rot. Bonds6

About 5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid

5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid (PubChem CID 79624210) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is 5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid
PubChem CID79624210
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Name5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid
SMILESCOC(=O)C(C)(C)COc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C14H18O6/c1-14(2,13(17)19-4)8-20-11-6-5-9(18-3)7-10(11)12(15)16/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyPIYUTIYLDVUBLV-UHFFFAOYSA-N
XLogP1.97
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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5-methoxy-2-(2-methylidenebutoxy)benzoic acid
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5-methoxy-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 63899578
methyl 3-[2-(2-aminoethyl)-5-methoxyphenoxy]-2,2-dimethylpropanoate
CID 79621787
2,5-bis(2,2,2-tribromoethoxy)benzoic acid
CID 23054238
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43309744
5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
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CID 114471317

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid?
The IUPAC name of 5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid (CID 79624210) is 5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid.
What is the SMILES notation for 5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid?
The canonical SMILES for 5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid is COC(=O)C(C)(C)COc1ccc(OC)cc1C(=O)O.
What is the InChIKey of 5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid?
The InChIKey is PIYUTIYLDVUBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6/c1-14(2,13(17)19-4)8-20-11-6-5-9(18-3)7-10(11)12(15)16/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of 5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid?
5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid has a molecular weight of 282.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid is sourced from PubChem (CID 79624210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).