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

C14H12O5 — CID 71036830

IUPAC2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(OCc2cccc(O)c2)ccc1O
InChIInChI=1S/C14H12O5/c15-10-3-1-2-9(6-10)8-19-11-4-5-13(16)12(7-11)14(17)18/h1-7,15-16H,8H2,(H,17,18)
InChIKeyOFHUISZPPXSLQZ-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.38
Rot. Bonds4

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

2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid (PubChem CID 71036830) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid
PubChem CID71036830
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid
SMILESO=C(O)c1cc(OCc2cccc(O)c2)ccc1O
InChIInChI=1S/C14H12O5/c15-10-3-1-2-9(6-10)8-19-11-4-5-13(16)12(7-11)14(17)18/h1-7,15-16H,8H2,(H,17,18)
InChIKeyOFHUISZPPXSLQZ-UHFFFAOYSA-N
XLogP2.38
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 91863786
2-hydroxy-5-[2-(3-hydroxyphenyl)sulfonylethoxy]benzoic acid
CID 54486276
2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid
CID 10449655
ethane;4-phenylmethoxyphthalic acid
CID 90802135
2-amino-5-[(3-chlorophenyl)methoxy]benzoic acid
CID 65125909
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
5-[(3-methoxyphenyl)methoxy]-2-methylbenzoic acid
CID 82165959
5-[(3-chlorophenyl)methoxy]-2-methylbenzoic acid
CID 59760044
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
5-[[3-[(3-carboxy-4-hydroxyphenyl)carbamoyl]-2,5-bis(phenylmethoxy)benzoyl]amino]-2-hydroxybenzoic acid
CID 156852350
4-[(3-bromophenyl)methoxy]-2-fluorobenzoic acid
CID 113437320
3-[(4-ethylphenoxy)methyl]phenol
CID 70330427

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid?
The IUPAC name of 2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid (CID 71036830) is 2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid is O=C(O)c1cc(OCc2cccc(O)c2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid?
The InChIKey is OFHUISZPPXSLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c15-10-3-1-2-9(6-10)8-19-11-4-5-13(16)12(7-11)14(17)18/h1-7,15-16H,8H2,(H,17,18).
What are the key properties of 2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid?
2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid has a molecular weight of 260.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid is sourced from PubChem (CID 71036830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).