2-[4-(acetyloxymethyl)phenyl]acetic acid

C11H12O4 — CID 15224349

IUPAC2-[4-(acetyloxymethyl)phenyl]acetic acid
SMILESCC(=O)OCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H12O4/c1-8(12)15-7-10-4-2-9(3-5-10)6-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyWTGLCAJZNIBTQQ-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.38
Rot. Bonds4

About 2-[4-(acetyloxymethyl)phenyl]acetic acid

2-[4-(acetyloxymethyl)phenyl]acetic acid (PubChem CID 15224349) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-[4-(acetyloxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(acetyloxymethyl)phenyl]acetic acid
PubChem CID15224349
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-[4-(acetyloxymethyl)phenyl]acetic acid
SMILESCC(=O)OCc1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H12O4/c1-8(12)15-7-10-4-2-9(3-5-10)6-11(13)14/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyWTGLCAJZNIBTQQ-UHFFFAOYSA-N
XLogP1.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl acetate
CID 8785
methyl 2-[4-(acetyloxymethyl)phenyl]acetate
CID 14793789
CID 90816966
CID 90816966
benzyl acetate;molecular nitrogen
CID 174861862
benzyl acetate;carbamic acid
CID 159542161
(4-fluorophenyl)methyl acetate
CID 14793785
benzyl acetate;formonitrile
CID 175329925
potassium [4-(acetyloxymethyl)phenyl]azanide
CID 177177546
benzyl acetate;carbon monoxide;chromium
CID 11196913
(4-hydrazinylphenyl)methyl acetate
CID 123892480
[4-(1-hydroxyethenoxy)phenyl]methyl acetate
CID 59935011
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015

Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetyloxymethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(acetyloxymethyl)phenyl]acetic acid (CID 15224349) is 2-[4-(acetyloxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(acetyloxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(acetyloxymethyl)phenyl]acetic acid is CC(=O)OCc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-(acetyloxymethyl)phenyl]acetic acid?
The InChIKey is WTGLCAJZNIBTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-8(12)15-7-10-4-2-9(3-5-10)6-11(13)14/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[4-(acetyloxymethyl)phenyl]acetic acid?
2-[4-(acetyloxymethyl)phenyl]acetic acid has a molecular weight of 208.21 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(acetyloxymethyl)phenyl]acetic acid is sourced from PubChem (CID 15224349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).