5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid

C14H20O3 — CID 93185741

IUPAC5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
SMILESCOc1cc(C)c(CCCCC(=O)O)cc1C
InChIInChI=1S/C14H20O3/c1-10-9-13(17-3)11(2)8-12(10)6-4-5-7-14(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyUOTCOWFYYPMSLV-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.11
Rot. Bonds6

About 5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid

5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid (PubChem CID 93185741) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid.

Molecular Properties

Compound Name5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
PubChem CID93185741
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
SMILESCOc1cc(C)c(CCCCC(=O)O)cc1C
InChIInChI=1S/C14H20O3/c1-10-9-13(17-3)11(2)8-12(10)6-4-5-7-14(15)16/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyUOTCOWFYYPMSLV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
CID 98014751
1-butyl-4-methoxy-2,5-dimethylbenzene
CID 142173395
3-[(4-methoxy-2,5-dimethylphenyl)methylamino]propanoic acid
CID 98784083
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol
CID 98016089
6-(2,5-dihydroxy-4-methoxyphenyl)hexanoic acid
CID 22910786
4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid
CID 115218709
5-(2-methoxyphenyl)pentanoic acid
CID 25050817
5-(4-methoxy-2,5-dimethylphenyl)-2-methylpentan-2-ol
CID 94686940
7-(2-methoxyphenyl)heptanoic acid
CID 59451681
5-(5-chloro-2-methoxyphenyl)pentanoic acid
CID 93186212
4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid
CID 117383909

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid?
The IUPAC name of 5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid (CID 93185741) is 5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid.
What is the SMILES notation for 5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid?
The canonical SMILES for 5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid is COc1cc(C)c(CCCCC(=O)O)cc1C.
What is the InChIKey of 5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid?
The InChIKey is UOTCOWFYYPMSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-9-13(17-3)11(2)8-12(10)6-4-5-7-14(15)16/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid?
5-(4-methoxy-2,5-dimethylphenyl)pentanoic 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 5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid is sourced from PubChem (CID 93185741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).