5-hydroxy-2-phenylmethoxycarbonylbenzoic acid

C15H12O5 — CID 70424833

IUPAC5-hydroxy-2-phenylmethoxycarbonylbenzoic acid
SMILESO=C(O)c1cc(O)ccc1C(=O)OCc1ccccc1
InChIInChI=1S/C15H12O5/c16-11-6-7-12(13(8-11)14(17)18)15(19)20-9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,18)
InChIKeyMWTMXYXPZGPRJQ-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.45
Rot. Bonds4

About 5-hydroxy-2-phenylmethoxycarbonylbenzoic acid

5-hydroxy-2-phenylmethoxycarbonylbenzoic acid (PubChem CID 70424833) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-hydroxy-2-phenylmethoxycarbonylbenzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-phenylmethoxycarbonylbenzoic acid
PubChem CID70424833
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name5-hydroxy-2-phenylmethoxycarbonylbenzoic acid
SMILESO=C(O)c1cc(O)ccc1C(=O)OCc1ccccc1
InChIInChI=1S/C15H12O5/c16-11-6-7-12(13(8-11)14(17)18)15(19)20-9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,18)
InChIKeyMWTMXYXPZGPRJQ-UHFFFAOYSA-N
XLogP2.45
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-carboxy-4-phenylmethoxycarbonylphenoxy)-2-phenylmethoxycarbonylbenzoic acid
CID 58500806
dibenzyl 4-hydroxybenzene-1,2-dicarboxylate;dihexyl 4-hydroxybenzene-1,2-dicarboxylate;phthalic acid
CID 159562956
2-phenylmethoxycarbonylterephthalic acid
CID 69248635
benzyl 4-hydroxy-2-(trifluoromethyl)benzoate
CID 66761869
dibenzyl 4-bromobenzene-1,2-dicarboxylate
CID 23134371
2-fluoro-4-phenylmethoxycarbonylbenzoic acid
CID 59295092
azane;hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium;2-phenylmethoxycarbonylbenzoic acid
CID 172697544
copper(1+);2-phenylmethoxycarbonylbenzoate
CID 158888431
benzyl 3-hydroxybenzoate
CID 11736317
4-hydroxyphthalic acid;hydrate
CID 171991193
tribenzyl 5-aminobenzene-1,2,3-tricarboxylate
CID 166736546
benzyl 2-hydroxy-5-iodobenzoate
CID 10760569

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-phenylmethoxycarbonylbenzoic acid?
The IUPAC name of 5-hydroxy-2-phenylmethoxycarbonylbenzoic acid (CID 70424833) is 5-hydroxy-2-phenylmethoxycarbonylbenzoic acid.
What is the SMILES notation for 5-hydroxy-2-phenylmethoxycarbonylbenzoic acid?
The canonical SMILES for 5-hydroxy-2-phenylmethoxycarbonylbenzoic acid is O=C(O)c1cc(O)ccc1C(=O)OCc1ccccc1.
What is the InChIKey of 5-hydroxy-2-phenylmethoxycarbonylbenzoic acid?
The InChIKey is MWTMXYXPZGPRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c16-11-6-7-12(13(8-11)14(17)18)15(19)20-9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,17,18).
What are the key properties of 5-hydroxy-2-phenylmethoxycarbonylbenzoic acid?
5-hydroxy-2-phenylmethoxycarbonylbenzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-phenylmethoxycarbonylbenzoic acid is sourced from PubChem (CID 70424833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).