2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid

C14H20O4 — CID 112514673

IUPAC2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid
SMILESCCOc1cc(C)c(C(C)OCC(=O)O)cc1C
InChIInChI=1S/C14H20O4/c1-5-17-13-7-9(2)12(6-10(13)3)11(4)18-8-14(15)16/h6-7,11H,5,8H2,1-4H3,(H,15,16)
InChIKeyYMTPBFBSKVCTRQ-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.86
Rot. Bonds6

About 2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid

2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid (PubChem CID 112514673) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid
PubChem CID112514673
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid
SMILESCCOc1cc(C)c(C(C)OCC(=O)O)cc1C
InChIInChI=1S/C14H20O4/c1-5-17-13-7-9(2)12(6-10(13)3)11(4)18-8-14(15)16/h6-7,11H,5,8H2,1-4H3,(H,15,16)
InChIKeyYMTPBFBSKVCTRQ-UHFFFAOYSA-N
XLogP2.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethoxy-2,5-dimethylphenyl)-4-methylpentanoic acid
CID 112509429
2-(2,5-diethoxy-4-methylphenyl)acetic acid
CID 4286018
1-(4-ethoxy-2,5-dimethylphenyl)-2-(ethylamino)propan-1-ol
CID 112512601
1-(4-ethoxy-2,5-dimethylphenyl)ethane-1,2-diol
CID 82284052
2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid
CID 112514675
4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxybutanamide
CID 112510492
methyl 4-(4-ethoxy-2,5-dimethylphenyl)-4-hydroxy-3-(methylamino)butanoate
CID 82350072
3-(4-ethoxy-2,5-dimethylphenyl)butanethioamide
CID 83940846
3-(4-ethoxy-2,5-dimethylphenyl)-3-methylbutanoic acid
CID 82087443
1-(4-ethoxy-2,5-dimethylphenyl)-2-(propan-2-ylamino)ethanol
CID 112510507
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
2-[1-(2,5-dimethoxyphenyl)ethoxy]acetic acid
CID 112514494

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid?
The IUPAC name of 2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid (CID 112514673) is 2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid.
What is the SMILES notation for 2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid?
The canonical SMILES for 2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid is CCOc1cc(C)c(C(C)OCC(=O)O)cc1C.
What is the InChIKey of 2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid?
The InChIKey is YMTPBFBSKVCTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-5-17-13-7-9(2)12(6-10(13)3)11(4)18-8-14(15)16/h6-7,11H,5,8H2,1-4H3,(H,15,16).
What are the key properties of 2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid?
2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid is sourced from PubChem (CID 112514673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).