acetic acid;2-(phenoxymethyl)benzoic acid

C16H16O5 — CID 154809758

IUPACacetic acid;2-(phenoxymethyl)benzoic acid
SMILESCC(=O)O.O=C(O)c1ccccc1COc1ccccc1
InChIInChI=1S/C14H12O3.C2H4O2/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12;1-2(3)4/h1-9H,10H2,(H,15,16);1H3,(H,3,4)
InChIKeyLTNUSEGVQCSPDK-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.05
Rot. Bonds4

About acetic acid;2-(phenoxymethyl)benzoic acid

acetic acid;2-(phenoxymethyl)benzoic acid (PubChem CID 154809758) has the molecular formula C16H16O5 and a molecular weight of 288.30 g/mol. Its IUPAC name is acetic acid;2-(phenoxymethyl)benzoic acid.

Molecular Properties

Compound Nameacetic acid;2-(phenoxymethyl)benzoic acid
PubChem CID154809758
Molecular FormulaC16H16O5
Molecular Weight288.30 g/mol
Exact Mass288.10
IUPAC Nameacetic acid;2-(phenoxymethyl)benzoic acid
SMILESCC(=O)O.O=C(O)c1ccccc1COc1ccccc1
InChIInChI=1S/C14H12O3.C2H4O2/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12;1-2(3)4/h1-9H,10H2,(H,15,16);1H3,(H,3,4)
InChIKeyLTNUSEGVQCSPDK-UHFFFAOYSA-N
XLogP3.05
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze acetic acid;2-(phenoxymethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-acetylphenoxy)methyl]benzoic acid
CID 43473132
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
2-[[4-(carboxymethyl)phenoxy]methyl]benzoic acid;methane
CID 21269133
N,N-dimethyl-2-(phenoxymethyl)benzamide
CID 134022314
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 62073745
2-[(4-bromo-3,5-dimethylphenoxy)methyl]benzoic acid
CID 22687325
2-[[4-(2-ethoxy-2-oxoethyl)phenoxy]methyl]benzoic acid
CID 154194947
2-[[4-(2-carboxy-2-methylpropyl)phenoxy]methyl]benzoic acid
CID 67598632
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
N,N-diethyl-2-(phenoxymethyl)benzamide
CID 78777252
4-[1-[2-(phenoxymethyl)phenyl]ethenyl]benzoic acid
CID 22400872

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(phenoxymethyl)benzoic acid?
The IUPAC name of acetic acid;2-(phenoxymethyl)benzoic acid (CID 154809758) is acetic acid;2-(phenoxymethyl)benzoic acid.
What is the SMILES notation for acetic acid;2-(phenoxymethyl)benzoic acid?
The canonical SMILES for acetic acid;2-(phenoxymethyl)benzoic acid is CC(=O)O.O=C(O)c1ccccc1COc1ccccc1.
What is the InChIKey of acetic acid;2-(phenoxymethyl)benzoic acid?
The InChIKey is LTNUSEGVQCSPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3.C2H4O2/c15-14(16)13-9-5-4-6-11(13)10-17-12-7-2-1-3-8-12;1-2(3)4/h1-9H,10H2,(H,15,16);1H3,(H,3,4).
What are the key properties of acetic acid;2-(phenoxymethyl)benzoic acid?
acetic acid;2-(phenoxymethyl)benzoic acid has a molecular weight of 288.30 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(phenoxymethyl)benzoic acid is sourced from PubChem (CID 154809758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).