2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid

C16H14O5 — CID 91863786

IUPAC2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid
SMILESCC(=O)c1ccc(OCc2cccc(O)c2)cc1C(=O)O
InChIInChI=1S/C16H14O5/c1-10(17)14-6-5-13(8-15(14)16(19)20)21-9-11-3-2-4-12(18)7-11/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyLMBHADJIJAPHKO-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.87
Rot. Bonds5

About 2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid

2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid (PubChem CID 91863786) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid
PubChem CID91863786
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid
SMILESCC(=O)c1ccc(OCc2cccc(O)c2)cc1C(=O)O
InChIInChI=1S/C16H14O5/c1-10(17)14-6-5-13(8-15(14)16(19)20)21-9-11-3-2-4-12(18)7-11/h2-8,18H,9H2,1H3,(H,19,20)
InChIKeyLMBHADJIJAPHKO-UHFFFAOYSA-N
XLogP2.87
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 71036830
ethane;4-phenylmethoxyphthalic acid
CID 90802135
1-[4-[(3-hydroxyphenyl)methoxy]-2-nitrophenyl]ethanone
CID 91863307
3-[(4-acetyl-3-methoxyphenoxy)methyl]benzoic acid
CID 91863937
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
2-[3-[(4-acetyl-3-bromophenoxy)methyl]phenyl]acetic acid
CID 91863540
2-acetyl-5-[(2-methoxycarbonylphenyl)methoxy]benzoic acid
CID 91863774
5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
CID 82165959
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid
CID 10449655
1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864314
methyl 2-acetyl-5-[(3-nitrophenyl)methoxy]benzoate
CID 91864085

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid?
The IUPAC name of 2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid (CID 91863786) is 2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid?
The canonical SMILES for 2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid is CC(=O)c1ccc(OCc2cccc(O)c2)cc1C(=O)O.
What is the InChIKey of 2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid?
The InChIKey is LMBHADJIJAPHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-10(17)14-6-5-13(8-15(14)16(19)20)21-9-11-3-2-4-12(18)7-11/h2-8,18H,9H2,1H3,(H,19,20).
What are the key properties of 2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid?
2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid has a molecular weight of 286.28 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid is sourced from PubChem (CID 91863786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).