4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid

C14H20O5 — CID 117424486

IUPAC4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid
SMILESCOCc1cc(OC)cc(CCCC(=O)O)c1OC
InChIInChI=1S/C14H20O5/c1-17-9-11-8-12(18-2)7-10(14(11)19-3)5-4-6-13(15)16/h7-8H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyIYASXOASKBYNGE-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.26
Rot. Bonds8

About 4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid

4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid (PubChem CID 117424486) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid.

Molecular Properties

Compound Name4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid
PubChem CID117424486
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid
SMILESCOCc1cc(OC)cc(CCCC(=O)O)c1OC
InChIInChI=1S/C14H20O5/c1-17-9-11-8-12(18-2)7-10(14(11)19-3)5-4-6-13(15)16/h7-8H,4-6,9H2,1-3H3,(H,15,16)
InChIKeyIYASXOASKBYNGE-UHFFFAOYSA-N
XLogP2.26
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(2,5-dimethoxy-3-methylphenyl)butanoate
CID 125042081
4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid
CID 117383909
4-(3-fluoro-2-methoxy-5-methylphenyl)butanoic acid
CID 83892522
3-(3-carboxypropyl)-4,5-dimethoxybenzoic acid
CID 117424082
4-[5-methoxy-2-(methylamino)phenyl]butanoic acid
CID 54536121
2-[2-methoxy-3-(methoxymethyl)phenyl]acetic acid
CID 83884874
4-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)butanoic acid
CID 117406095
[2,5-dimethoxy-3-(methoxymethyl)phenyl]methanesulfonyl chloride
CID 117475353
4-[2-fluoro-4-(methoxymethyl)phenyl]butanoic acid
CID 117325374
4-(3,5-dimethoxyphenoxy)butanoic acid
CID 43351586
8-(3,5-dimethoxyphenyl)octanoic acid
CID 14427818
4-(4-chloro-2-hydroxy-3-methoxyphenyl)butanoic acid
CID 117363741

Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid?
The IUPAC name of 4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid (CID 117424486) is 4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid.
What is the SMILES notation for 4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid?
The canonical SMILES for 4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid is COCc1cc(OC)cc(CCCC(=O)O)c1OC.
What is the InChIKey of 4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid?
The InChIKey is IYASXOASKBYNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-17-9-11-8-12(18-2)7-10(14(11)19-3)5-4-6-13(15)16/h7-8H,4-6,9H2,1-3H3,(H,15,16).
What are the key properties of 4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid?
4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid has a molecular weight of 268.31 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethoxy-3-(methoxymethyl)phenyl]butanoic acid is sourced from PubChem (CID 117424486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).