5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid

C15H22O6 — CID 19816113

IUPAC5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid
SMILESCOCOc1c(OC)cc(CCCCC(=O)O)cc1OC
InChIInChI=1S/C15H22O6/c1-18-10-21-15-12(19-2)8-11(9-13(15)20-3)6-4-5-7-14(16)17/h8-9H,4-7,10H2,1-3H3,(H,16,17)
InChIKeyCHCSPMJHTSULTB-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.48
Rot. Bonds10

About 5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid

5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid (PubChem CID 19816113) has the molecular formula C15H22O6 and a molecular weight of 298.34 g/mol. Its IUPAC name is 5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid.

Molecular Properties

Compound Name5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid
PubChem CID19816113
Molecular FormulaC15H22O6
Molecular Weight298.34 g/mol
Exact Mass298.14
IUPAC Name5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid
SMILESCOCOc1c(OC)cc(CCCCC(=O)O)cc1OC
InChIInChI=1S/C15H22O6/c1-18-10-21-15-12(19-2)8-11(9-13(15)20-3)6-4-5-7-14(16)17/h8-9H,4-7,10H2,1-3H3,(H,16,17)
InChIKeyCHCSPMJHTSULTB-UHFFFAOYSA-N
XLogP2.48
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-cyano-4,5-dimethoxyphenyl)butanoic acid
CID 117375550
6-(3,4-dimethoxyphenyl)hexanoic acid
CID 4577343
4-(3,4-dimethoxy-5-methylsulfanylphenyl)butanoic acid
CID 117429229
8-(4-hydroxy-3-methoxyphenyl)octanoic acid
CID 25005890
8-(3,5-dimethoxyphenyl)octanoic acid
CID 14427818
5-(chloromethyl)-1,3-dimethoxy-2-(methoxymethoxy)benzene
CID 65364393
5-(3,4,5-trimethoxyphenyl)pentan-2-one
CID 10610814
6-(3-bromo-4-methoxyphenyl)hexanoic acid
CID 43446926
4-(3-chloro-4-fluoro-5-methoxyphenyl)butanoic acid
CID 117369145
4-(4-ethoxy-3-methoxyphenyl)butanoic acid
CID 82265678
5-[3-(difluoromethoxy)-4-methoxyphenyl]pentanoic acid
CID 114193865
4-(3,4,5-trimethoxyphenoxy)butanoic acid
CID 11219431

Frequently Asked Questions

What is the IUPAC name of 5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid?
The IUPAC name of 5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid (CID 19816113) is 5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid.
What is the SMILES notation for 5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid?
The canonical SMILES for 5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid is COCOc1c(OC)cc(CCCCC(=O)O)cc1OC.
What is the InChIKey of 5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid?
The InChIKey is CHCSPMJHTSULTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-18-10-21-15-12(19-2)8-11(9-13(15)20-3)6-4-5-7-14(16)17/h8-9H,4-7,10H2,1-3H3,(H,16,17).
What are the key properties of 5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid?
5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid has a molecular weight of 298.34 g/mol, XLogP of 2.48, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,5-dimethoxy-4-(methoxymethoxy)phenyl]pentanoic acid is sourced from PubChem (CID 19816113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).