2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid

C20H16O5 — CID 10449655

IUPAC2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(-c3cccc(O)c3)cc2)cc1O
InChIInChI=1S/C20H16O5/c21-16-3-1-2-15(10-16)14-6-4-13(5-7-14)12-25-17-8-9-18(20(23)24)19(22)11-17/h1-11,21-22H,12H2,(H,23,24)
InChIKeyRIBJJFDBUZUGKR-UHFFFAOYSA-N
MW336.34 g/mol
LogP4.04
Rot. Bonds5

About 2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid

2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid (PubChem CID 10449655) has the molecular formula C20H16O5 and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid
PubChem CID10449655
Molecular FormulaC20H16O5
Molecular Weight336.34 g/mol
Exact Mass336.10
IUPAC Name2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid
SMILESO=C(O)c1ccc(OCc2ccc(-c3cccc(O)c3)cc2)cc1O
InChIInChI=1S/C20H16O5/c21-16-3-1-2-15(10-16)14-6-4-13(5-7-14)12-25-17-8-9-18(20(23)24)19(22)11-17/h1-11,21-22H,12H2,(H,23,24)
InChIKeyRIBJJFDBUZUGKR-UHFFFAOYSA-N
XLogP4.04
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(cyclooctatetraenyl)phenyl]methoxy]-2-hydroxybenzoic acid
CID 143547167
2-hydroxy-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 71036830
4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
CID 90075851
butan-2-ylbenzene;4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
CID 158505754
2-acetyl-5-[(3-hydroxyphenyl)methoxy]benzoic acid
CID 91863786
4-[3-(4-carboxy-3-hydroxyphenoxy)propoxy]-2-hydroxybenzoic acid
CID 71341364
2-hydroxy-4-[[4-[(4-methylphenyl)sulfonylmethyl]phenyl]methoxy]benzoic acid
CID 19106206
1-[2-hydroxy-5-(3-phenylmethoxyphenyl)phenyl]ethanone
CID 23004910
ethane;4-phenylmethoxyphthalic acid
CID 90802135
1,3-diphenylbenzene;4-phenylmethoxyphenol
CID 70041760
4-[3-(carboxymethyl)phenyl]-2-hydroxybenzoic acid
CID 167952016
2-carboxy-5-phenylmethoxyphenolate
CID 86309199

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid?
The IUPAC name of 2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid (CID 10449655) is 2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid.
What is the SMILES notation for 2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid?
The canonical SMILES for 2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid is O=C(O)c1ccc(OCc2ccc(-c3cccc(O)c3)cc2)cc1O.
What is the InChIKey of 2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid?
The InChIKey is RIBJJFDBUZUGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5/c21-16-3-1-2-15(10-16)14-6-4-13(5-7-14)12-25-17-8-9-18(20(23)24)19(22)11-17/h1-11,21-22H,12H2,(H,23,24).
What are the key properties of 2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid?
2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid has a molecular weight of 336.34 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[4-(3-hydroxyphenyl)phenyl]methoxy]benzoic acid is sourced from PubChem (CID 10449655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).