2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid

C10H12O4 — CID 96559713

IUPAC2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid
SMILESO=C(O)COCc1ccc(CO)cc1
InChIInChI=1S/C10H12O4/c11-5-8-1-3-9(4-2-8)6-14-7-10(12)13/h1-4,11H,5-7H2,(H,12,13)
InChIKeyXPAIFUPEPACKBJ-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.78
Rot. Bonds5

About 2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid

2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid (PubChem CID 96559713) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid
PubChem CID96559713
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid
SMILESO=C(O)COCc1ccc(CO)cc1
InChIInChI=1S/C10H12O4/c11-5-8-1-3-9(4-2-8)6-14-7-10(12)13/h1-4,11H,5-7H2,(H,12,13)
InChIKeyXPAIFUPEPACKBJ-UHFFFAOYSA-N
XLogP0.78
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523
2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
CID 69381817
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067
2-[(3,4-dimethoxyphenyl)methoxy]acetic acid
CID 10727925
acetic acid;[4-(hydroxymethyl)phenyl]methanol
CID 71354218
acetic acid;ethanol;1-ethenyl-4-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxymethyl]benzene;2-[(4-ethenylphenyl)methoxy]acetic acid;styrene
CID 159230029
[4-[4-(ethoxymethyl)phenyl]phenyl]methanol
CID 123162407
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid
CID 94769293
4-[[3-(hydroxymethyl)phenyl]methoxymethyl]benzoic acid
CID 146227717
3,6-bis[[4-(hydroxymethyl)phenyl]methoxycarbonyl]bicyclo[2.2.2]oct-7-ene-2,5-dicarboxylic acid
CID 58500784
2-[2-(carboxymethoxy)ethoxy]acetic acid;2-[2-(2-oxo-2-phenylmethoxyethoxy)ethoxy]acetic acid
CID 158939829
methyl 3-oxo-4-phenylmethoxybutanoate
CID 12768799

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid?
The IUPAC name of 2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid (CID 96559713) is 2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid.
What is the SMILES notation for 2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid?
The canonical SMILES for 2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid is O=C(O)COCc1ccc(CO)cc1.
What is the InChIKey of 2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid?
The InChIKey is XPAIFUPEPACKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c11-5-8-1-3-9(4-2-8)6-14-7-10(12)13/h1-4,11H,5-7H2,(H,12,13).
What are the key properties of 2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid?
2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid has a molecular weight of 196.20 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid is sourced from PubChem (CID 96559713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).