2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid

C14H11IO4 — CID 82994875

IUPAC2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1OCc1ccc(O)cc1
InChIInChI=1S/C14H11IO4/c15-10-3-6-13(12(7-10)14(17)18)19-8-9-1-4-11(16)5-2-9/h1-7,16H,8H2,(H,17,18)
InChIKeyZBQFNCFSQBXGTF-UHFFFAOYSA-N
MW370.14 g/mol
LogP3.27
Rot. Bonds4

About 2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid

2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid (PubChem CID 82994875) has the molecular formula C14H11IO4 and a molecular weight of 370.14 g/mol. Its IUPAC name is 2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid.

Molecular Properties

Compound Name2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid
PubChem CID82994875
Molecular FormulaC14H11IO4
Molecular Weight370.14 g/mol
Exact Mass369.97
IUPAC Name2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1OCc1ccc(O)cc1
InChIInChI=1S/C14H11IO4/c15-10-3-6-13(12(7-10)14(17)18)19-8-9-1-4-11(16)5-2-9/h1-7,16H,8H2,(H,17,18)
InChIKeyZBQFNCFSQBXGTF-UHFFFAOYSA-N
XLogP3.27
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.14
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(4-cyanophenyl)methoxy]-5-iodobenzoic acid
CID 45417991
5-iodo-2-propoxybenzoic acid
CID 10804556
2-[(2,5-difluorophenyl)methoxy]-5-iodobenzoic acid
CID 115281933
methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate
CID 67106887
5-iodo-2-pentoxybenzoic acid
CID 82996012
2-[2-(2-hydroxyethoxy)ethoxy]-5-iodobenzoic acid
CID 82995027
5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 82995712
5-(nitrosomethyl)-2-phenylmethoxybenzoic acid
CID 57013036
5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid
CID 112587928
5-iodo-2-(2-methylbutoxy)benzoic acid
CID 82995336
2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-5-iodobenzoic acid
CID 82995560
5-iodo-2-[3-(2-methoxyethoxy)propoxy]benzoic acid
CID 103408924

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid?
The IUPAC name of 2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid (CID 82994875) is 2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid.
What is the SMILES notation for 2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid?
The canonical SMILES for 2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid is O=C(O)c1cc(I)ccc1OCc1ccc(O)cc1.
What is the InChIKey of 2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid?
The InChIKey is ZBQFNCFSQBXGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11IO4/c15-10-3-6-13(12(7-10)14(17)18)19-8-9-1-4-11(16)5-2-9/h1-7,16H,8H2,(H,17,18).
What are the key properties of 2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid?
2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid has a molecular weight of 370.14 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid is sourced from PubChem (CID 82994875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).