2-ethoxy-5-propan-2-yloxybenzoic acid

C12H16O4 — CID 152600647

IUPAC2-ethoxy-5-propan-2-yloxybenzoic acid
SMILESCCOc1ccc(OC(C)C)cc1C(=O)O
InChIInChI=1S/C12H16O4/c1-4-15-11-6-5-9(16-8(2)3)7-10(11)12(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyYXLOMZHDXLSKKX-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.57
Rot. Bonds5

About 2-ethoxy-5-propan-2-yloxybenzoic acid

2-ethoxy-5-propan-2-yloxybenzoic acid (PubChem CID 152600647) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-ethoxy-5-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name2-ethoxy-5-propan-2-yloxybenzoic acid
PubChem CID152600647
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-ethoxy-5-propan-2-yloxybenzoic acid
SMILESCCOc1ccc(OC(C)C)cc1C(=O)O
InChIInChI=1S/C12H16O4/c1-4-15-11-6-5-9(16-8(2)3)7-10(11)12(13)14/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyYXLOMZHDXLSKKX-UHFFFAOYSA-N
XLogP2.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-diethoxyphenyl)ethanone
CID 4075332
5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035342
1-[2,5-di(propan-2-yloxy)phenyl]propan-1-one
CID 82267817
2-ethoxy-5-(hydroxymethyl)benzoic acid
CID 163697379
5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 2214920
(2-ethoxyphenyl)-(4-propan-2-yloxyphenyl)methanone
CID 43161508
1-(2-ethoxy-5-phenoxyphenyl)ethanone
CID 82267161
5-[(4-chlorophenyl)methoxy]-2-propan-2-yloxybenzoic acid
CID 141216465
2-butoxy-5-methoxybenzoic acid
CID 43213162
5-cyano-2-ethoxybenzoic acid
CID 51712745
2-(1-bromoethyl)-4-ethoxybenzoic acid
CID 175301760
2-ethoxy-4-propan-2-yloxybenzaldehyde
CID 141193639

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-propan-2-yloxybenzoic acid?
The IUPAC name of 2-ethoxy-5-propan-2-yloxybenzoic acid (CID 152600647) is 2-ethoxy-5-propan-2-yloxybenzoic acid.
What is the SMILES notation for 2-ethoxy-5-propan-2-yloxybenzoic acid?
The canonical SMILES for 2-ethoxy-5-propan-2-yloxybenzoic acid is CCOc1ccc(OC(C)C)cc1C(=O)O.
What is the InChIKey of 2-ethoxy-5-propan-2-yloxybenzoic acid?
The InChIKey is YXLOMZHDXLSKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-4-15-11-6-5-9(16-8(2)3)7-10(11)12(13)14/h5-8H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-ethoxy-5-propan-2-yloxybenzoic acid?
2-ethoxy-5-propan-2-yloxybenzoic acid has a molecular weight of 224.26 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-propan-2-yloxybenzoic acid is sourced from PubChem (CID 152600647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).