2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid

C13H18O4 — CID 62397820

IUPAC2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid
SMILESCCOc1ccccc1C(O)C(CC)C(=O)O
InChIInChI=1S/C13H18O4/c1-3-9(13(15)16)12(14)10-7-5-6-8-11(10)17-4-2/h5-9,12,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyFKXPQKCYRCOLGK-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.23
Rot. Bonds6

About 2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid

2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid (PubChem CID 62397820) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid
PubChem CID62397820
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid
SMILESCCOc1ccccc1C(O)C(CC)C(=O)O
InChIInChI=1S/C13H18O4/c1-3-9(13(15)16)12(14)10-7-5-6-8-11(10)17-4-2/h5-9,12,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyFKXPQKCYRCOLGK-UHFFFAOYSA-N
XLogP2.23
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457274
2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid
CID 83224823
2-[hydroxy-[2-(trifluoromethoxy)phenyl]methyl]pentanoic acid
CID 83042460
2-(2-ethoxyphenyl)butanedioic acid
CID 112508431
(2R)-2-(2-ethoxyphenyl)-2-hydroxyacetamide
CID 94376566
1-(2-ethoxyphenyl)-2-methoxy-2-phenylethanol
CID 116757008
2-[amino-(2-methoxyphenyl)methyl]butanoic acid
CID 116945129
3-(2-ethoxyphenyl)-2-fluorobutanoic acid
CID 81358272
2-ethoxy-1-(2-ethoxyphenyl)-2-phenylethanol
CID 116757235
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
2,2,2-trichloro-1-(2-ethoxyphenyl)ethanol
CID 23460388
ethyl 2-[hydroxy-[2-(trifluoromethyl)phenyl]methyl]butanoate
CID 62394555

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid?
The IUPAC name of 2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid (CID 62397820) is 2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid.
What is the SMILES notation for 2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid?
The canonical SMILES for 2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid is CCOc1ccccc1C(O)C(CC)C(=O)O.
What is the InChIKey of 2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid?
The InChIKey is FKXPQKCYRCOLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-9(13(15)16)12(14)10-7-5-6-8-11(10)17-4-2/h5-9,12,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid?
2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid has a molecular weight of 238.28 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxyphenyl)-hydroxymethyl]butanoic acid is sourced from PubChem (CID 62397820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).