2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid

C14H20O4 — CID 112514675

IUPAC2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid
SMILESCc1cc(C(C)OCC(=O)O)ccc1OC(C)C
InChIInChI=1S/C14H20O4/c1-9(2)18-13-6-5-12(7-10(13)3)11(4)17-8-14(15)16/h5-7,9,11H,8H2,1-4H3,(H,15,16)
InChIKeyXNVVIBZPWFOQED-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.94
Rot. Bonds6

About 2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid

2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid (PubChem CID 112514675) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid
PubChem CID112514675
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid
SMILESCc1cc(C(C)OCC(=O)O)ccc1OC(C)C
InChIInChI=1S/C14H20O4/c1-9(2)18-13-6-5-12(7-10(13)3)11(4)17-8-14(15)16/h5-7,9,11H,8H2,1-4H3,(H,15,16)
InChIKeyXNVVIBZPWFOQED-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid
CID 112516192
2-(methylamino)-2-(3-methyl-4-propan-2-yloxyphenyl)acetic acid
CID 82476689
3-(methylamino)-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112518832
3-cyclopropyl-3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 112512772
2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol
CID 117297903
3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 82051538
2-methyl-4-pentan-3-yl-1-propan-2-yloxybenzene
CID 134400936
2-[1-(2-methoxy-4-propan-2-ylphenyl)ethoxy]acetic acid
CID 112514676
2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol
CID 164892670
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
CID 82492417
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
2-[1-(4-ethoxy-2,5-dimethylphenyl)ethoxy]acetic acid
CID 112514673

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid?
The IUPAC name of 2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid (CID 112514675) is 2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid.
What is the SMILES notation for 2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid?
The canonical SMILES for 2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid is Cc1cc(C(C)OCC(=O)O)ccc1OC(C)C.
What is the InChIKey of 2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid?
The InChIKey is XNVVIBZPWFOQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-9(2)18-13-6-5-12(7-10(13)3)11(4)17-8-14(15)16/h5-7,9,11H,8H2,1-4H3,(H,15,16).
What are the key properties of 2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid?
2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid has a molecular weight of 252.31 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methyl-4-propan-2-yloxyphenyl)ethoxy]acetic acid is sourced from PubChem (CID 112514675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).