5-methyl-2-(2-propoxyphenoxy)benzoic acid

C17H18O4 — CID 62514617

IUPAC5-methyl-2-(2-propoxyphenoxy)benzoic acid
SMILESCCCOc1ccccc1Oc1ccc(C)cc1C(=O)O
InChIInChI=1S/C17H18O4/c1-3-10-20-15-6-4-5-7-16(15)21-14-9-8-12(2)11-13(14)17(18)19/h4-9,11H,3,10H2,1-2H3,(H,18,19)
InChIKeySKVMUWDMQAJNFO-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.27
Rot. Bonds6

About 5-methyl-2-(2-propoxyphenoxy)benzoic acid

5-methyl-2-(2-propoxyphenoxy)benzoic acid (PubChem CID 62514617) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-methyl-2-(2-propoxyphenoxy)benzoic acid.

Molecular Properties

Compound Name5-methyl-2-(2-propoxyphenoxy)benzoic acid
PubChem CID62514617
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name5-methyl-2-(2-propoxyphenoxy)benzoic acid
SMILESCCCOc1ccccc1Oc1ccc(C)cc1C(=O)O
InChIInChI=1S/C17H18O4/c1-3-10-20-15-6-4-5-7-16(15)21-14-9-8-12(2)11-13(14)17(18)19/h4-9,11H,3,10H2,1-2H3,(H,18,19)
InChIKeySKVMUWDMQAJNFO-UHFFFAOYSA-N
XLogP4.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-nonoxybenzoic acid
CID 63463067
4-chloro-2-(2-propoxyphenoxy)benzoic acid
CID 63082699
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CID 61396262
2-(2-fluoroethoxy)-5-methylbenzoic acid
CID 51357094
5-methyl-2-(2-prop-1-enylphenoxy)benzoic acid
CID 76996043
2-(2-ethoxyphenoxy)-5-methylbenzenecarbothioamide
CID 107929491
1-[4-bromo-2-(2-propoxyphenoxy)phenyl]ethanone
CID 82956146
2-methyl-5-[(2-propoxyphenoxy)methyl]furan-3-carboxylic acid
CID 43477195
2-(4-methylphenyl)-5-propoxypyridine-4-carboxylic acid
CID 132588947
6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid
CID 63376427
5-iodo-2-propoxybenzoic acid
CID 10804556
2-but-3-ynoxy-5-methylbenzoic acid
CID 61379839

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-propoxyphenoxy)benzoic acid?
The IUPAC name of 5-methyl-2-(2-propoxyphenoxy)benzoic acid (CID 62514617) is 5-methyl-2-(2-propoxyphenoxy)benzoic acid.
What is the SMILES notation for 5-methyl-2-(2-propoxyphenoxy)benzoic acid?
The canonical SMILES for 5-methyl-2-(2-propoxyphenoxy)benzoic acid is CCCOc1ccccc1Oc1ccc(C)cc1C(=O)O.
What is the InChIKey of 5-methyl-2-(2-propoxyphenoxy)benzoic acid?
The InChIKey is SKVMUWDMQAJNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-3-10-20-15-6-4-5-7-16(15)21-14-9-8-12(2)11-13(14)17(18)19/h4-9,11H,3,10H2,1-2H3,(H,18,19).
What are the key properties of 5-methyl-2-(2-propoxyphenoxy)benzoic acid?
5-methyl-2-(2-propoxyphenoxy)benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-propoxyphenoxy)benzoic acid is sourced from PubChem (CID 62514617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).