3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid

C14H20O3 — CID 82053234

IUPAC3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid
SMILESCCCOc1c(C)cc(C)cc1CCC(=O)O
InChIInChI=1S/C14H20O3/c1-4-7-17-14-11(3)8-10(2)9-12(14)5-6-13(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyOQKBVAGPQWGSAD-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.11
Rot. Bonds6

About 3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid

3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid (PubChem CID 82053234) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid
PubChem CID82053234
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid
SMILESCCCOc1c(C)cc(C)cc1CCC(=O)O
InChIInChI=1S/C14H20O3/c1-4-7-17-14-11(3)8-10(2)9-12(14)5-6-13(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyOQKBVAGPQWGSAD-UHFFFAOYSA-N
XLogP3.11
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one
CID 83942149
2-(3,5-dimethyl-2-propoxyphenyl)ethanamine
CID 82053274
1-(3,5-dimethyl-2-propoxyphenyl)hexane-3,4-diol
CID 83942267
3-(3,5-dichloro-2-propoxyphenyl)propanoic acid
CID 82267091
methyl 2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83942262
5-(3,5-dimethyl-2-propoxyphenyl)-4-methylpentan-2-one
CID 83942194
2-[2-(3,5-dimethyl-2-propoxyphenyl)ethyl]-3-methyloxirane
CID 83942245
3-(3,5-dimethyl-2-propoxyphenyl)hexanoic acid
CID 83959167
3-(2-chloro-4,5-dipropoxyphenyl)propanoic acid
CID 82268203
3-(2,4-dimethylphenyl)propanoic acid
CID 3870217
methyl 5-(3,5-dimethyl-2-propoxyphenyl)-5-oxopentanoate
CID 82551916
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117488028

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid?
The IUPAC name of 3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid (CID 82053234) is 3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid?
The canonical SMILES for 3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid is CCCOc1c(C)cc(C)cc1CCC(=O)O.
What is the InChIKey of 3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid?
The InChIKey is OQKBVAGPQWGSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-7-17-14-11(3)8-10(2)9-12(14)5-6-13(15)16/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid?
3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid is sourced from PubChem (CID 82053234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).