3,5-dihydroxy-2-phenylmethoxybenzoic acid

C14H12O5 — CID 118873136

IUPAC3,5-dihydroxy-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1cc(O)cc(O)c1OCc1ccccc1
InChIInChI=1S/C14H12O5/c15-10-6-11(14(17)18)13(12(16)7-10)19-8-9-4-2-1-3-5-9/h1-7,15-16H,8H2,(H,17,18)
InChIKeyKJVXTRIWIBUMFH-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.38
Rot. Bonds4

About 3,5-dihydroxy-2-phenylmethoxybenzoic acid

3,5-dihydroxy-2-phenylmethoxybenzoic acid (PubChem CID 118873136) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3,5-dihydroxy-2-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name3,5-dihydroxy-2-phenylmethoxybenzoic acid
PubChem CID118873136
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name3,5-dihydroxy-2-phenylmethoxybenzoic acid
SMILESO=C(O)c1cc(O)cc(O)c1OCc1ccccc1
InChIInChI=1S/C14H12O5/c15-10-6-11(14(17)18)13(12(16)7-10)19-8-9-4-2-1-3-5-9/h1-7,15-16H,8H2,(H,17,18)
InChIKeyKJVXTRIWIBUMFH-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

3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
CID 175815077
2-phenylmethoxybenzene-1,3-diol
CID 15652625
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
5-pentyl-2,3-bis(phenylmethoxy)benzoic acid
CID 118026037
propyl 3,5-dihydroxy-4-phenylmethoxybenzoate
CID 50923904
2-hydroxy-4-phenylmethoxy-5-sulfooxybenzoic acid
CID 169434263
5-fluoro-2-phenylmethoxy-3-(trifluoromethyl)benzoic acid
CID 19888148
3,4-bis(phenylmethoxy)pyridine-2,6-dicarboxylic acid
CID 54512111
CID 6334341
CID 6334341
methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate
CID 118992954
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-2-phenylmethoxybenzoic acid?
The IUPAC name of 3,5-dihydroxy-2-phenylmethoxybenzoic acid (CID 118873136) is 3,5-dihydroxy-2-phenylmethoxybenzoic acid.
What is the SMILES notation for 3,5-dihydroxy-2-phenylmethoxybenzoic acid?
The canonical SMILES for 3,5-dihydroxy-2-phenylmethoxybenzoic acid is O=C(O)c1cc(O)cc(O)c1OCc1ccccc1.
What is the InChIKey of 3,5-dihydroxy-2-phenylmethoxybenzoic acid?
The InChIKey is KJVXTRIWIBUMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c15-10-6-11(14(17)18)13(12(16)7-10)19-8-9-4-2-1-3-5-9/h1-7,15-16H,8H2,(H,17,18).
What are the key properties of 3,5-dihydroxy-2-phenylmethoxybenzoic acid?
3,5-dihydroxy-2-phenylmethoxybenzoic 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 3,5-dihydroxy-2-phenylmethoxybenzoic acid is sourced from PubChem (CID 118873136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).