2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid

C14H20O4 — CID 84752870

IUPAC2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid
SMILESCCCC(Cc1cc(OC)ccc1OC)C(=O)O
InChIInChI=1S/C14H20O4/c1-4-5-10(14(15)16)8-11-9-12(17-2)6-7-13(11)18-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyJNXYJODLDYVKSZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.75
Rot. Bonds7

About 2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid

2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid (PubChem CID 84752870) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid
PubChem CID84752870
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid
SMILESCCCC(Cc1cc(OC)ccc1OC)C(=O)O
InChIInChI=1S/C14H20O4/c1-4-5-10(14(15)16)8-11-9-12(17-2)6-7-13(11)18-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16)
InChIKeyJNXYJODLDYVKSZ-UHFFFAOYSA-N
XLogP2.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethoxyphenyl)pentan-2-amine
CID 82255255
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
methyl 2-(aminomethyl)-3-(2,5-dimethoxyphenyl)propanoate
CID 43148171
(2S)-3-(2,5-dimethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100546355
4-[1-carboxy-2-(2,5-dimethoxyphenyl)ethyl]benzoic acid
CID 82141846
4-amino-2-[(2-methoxy-5-methylphenyl)methyl]butanoic acid
CID 104681023
2-[(2,3,4-trimethoxyphenyl)methyl]hexanoic acid
CID 154057350
3-(2,5-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)propanoic acid
CID 112721448
2-[(3-amino-4-methoxyphenyl)methyl]pentanoic acid
CID 142143859
3-[1-(2,5-dimethoxyphenyl)propan-2-yl-methylamino]propanoic acid
CID 84751636
3-(2,5-dimethoxyphenyl)-2-(4-ethoxyphenyl)propanoic acid
CID 82141853
3-bromo-4-(2,5-dimethoxyphenyl)butanoic acid
CID 82351985

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid (CID 84752870) is 2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid is CCCC(Cc1cc(OC)ccc1OC)C(=O)O.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid?
The InChIKey is JNXYJODLDYVKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-4-5-10(14(15)16)8-11-9-12(17-2)6-7-13(11)18-3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid?
2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methyl]pentanoic acid is sourced from PubChem (CID 84752870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).