2-(2,5-diethoxy-4-methylphenyl)acetic acid

C13H18O4 — CID 4286018

IUPAC2-(2,5-diethoxy-4-methylphenyl)acetic acid
SMILESCCOc1cc(CC(=O)O)c(OCC)cc1C
InChIInChI=1S/C13H18O4/c1-4-16-11-7-10(8-13(14)15)12(17-5-2)6-9(11)3/h6-7H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyPBMCKNZRODZICS-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.42
Rot. Bonds6

About 2-(2,5-diethoxy-4-methylphenyl)acetic acid

2-(2,5-diethoxy-4-methylphenyl)acetic acid (PubChem CID 4286018) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(2,5-diethoxy-4-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2,5-diethoxy-4-methylphenyl)acetic acid
PubChem CID4286018
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(2,5-diethoxy-4-methylphenyl)acetic acid
SMILESCCOc1cc(CC(=O)O)c(OCC)cc1C
InChIInChI=1S/C13H18O4/c1-4-16-11-7-10(8-13(14)15)12(17-5-2)6-9(11)3/h6-7H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyPBMCKNZRODZICS-UHFFFAOYSA-N
XLogP2.42
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethoxy-4-ethyl-2,5-dimethylbenzene
CID 84761080
3-(4-ethoxy-2,5-dimethylphenyl)-3-methylbutanoic acid
CID 82087443
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid
CID 112514673
2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid
CID 90901057
(2-ethoxy-4,5-dimethylphenyl)methanol
CID 131316252
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
ethyl N-[(4-ethoxy-2,5-dimethylphenyl)methyl]carbamate
CID 110780864
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
CID 82048712
1-(4-ethoxy-2,5-dimethylphenyl)-2-sulfanylethanone
CID 82128115
1-(4-ethoxy-2,5-dimethylphenyl)butane-1,2-dione
CID 94686162

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethoxy-4-methylphenyl)acetic acid?
The IUPAC name of 2-(2,5-diethoxy-4-methylphenyl)acetic acid (CID 4286018) is 2-(2,5-diethoxy-4-methylphenyl)acetic acid.
What is the SMILES notation for 2-(2,5-diethoxy-4-methylphenyl)acetic acid?
The canonical SMILES for 2-(2,5-diethoxy-4-methylphenyl)acetic acid is CCOc1cc(CC(=O)O)c(OCC)cc1C.
What is the InChIKey of 2-(2,5-diethoxy-4-methylphenyl)acetic acid?
The InChIKey is PBMCKNZRODZICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-4-16-11-7-10(8-13(14)15)12(17-5-2)6-9(11)3/h6-7H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 2-(2,5-diethoxy-4-methylphenyl)acetic acid?
2-(2,5-diethoxy-4-methylphenyl)acetic acid has a molecular weight of 238.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethoxy-4-methylphenyl)acetic acid is sourced from PubChem (CID 4286018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).