(2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate

C14H12O5 — CID 53320605

IUPAC(2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate
SMILESO=C(OCc1ccccc1O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H12O5/c15-11-5-10(6-12(16)7-11)14(18)19-8-9-3-1-2-4-13(9)17/h1-7,15-17H,8H2
InChIKeyXPCVARTYSBHSQC-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.16
Rot. Bonds3

About (2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate

(2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate (PubChem CID 53320605) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate.

Molecular Properties

Compound Name(2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate
PubChem CID53320605
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name(2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate
SMILESO=C(OCc1ccccc1O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H12O5/c15-11-5-10(6-12(16)7-11)14(18)19-8-9-3-1-2-4-13(9)17/h1-7,15-17H,8H2
InChIKeyXPCVARTYSBHSQC-UHFFFAOYSA-N
XLogP2.16
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3,4,5-trihydroxybenzoate
CID 16656514
(2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate
CID 61277658
benzyl 3,5-bis(phenylmethoxy)benzoate;3,5-dihydroxybenzoic acid
CID 158844750
(2,3-dichlorophenyl)methyl 3,5-diaminobenzoate
CID 107309367
benzyl 3-tert-butyl-5-hydroxybenzoate
CID 178098727
(4-tert-butylphenyl)methyl 3,5-dihydroxybenzoate
CID 137442324
(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
CID 23993945
bis(iodomethyl) 5-hydroxybenzene-1,3-dicarboxylate
CID 130328658
(2-methoxyphenyl)methyl 4-hydroxybenzoate
CID 7777293
benzyl 3-hydroxybenzoate
CID 11736317
benzyl 3,5-dimethylbenzoate
CID 54359872
(2-fluorophenyl)methyl 4-amino-2-hydroxybenzoate
CID 63933212

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate?
The IUPAC name of (2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate (CID 53320605) is (2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate.
What is the SMILES notation for (2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate?
The canonical SMILES for (2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate is O=C(OCc1ccccc1O)c1cc(O)cc(O)c1.
What is the InChIKey of (2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate?
The InChIKey is XPCVARTYSBHSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c15-11-5-10(6-12(16)7-11)14(18)19-8-9-3-1-2-4-13(9)17/h1-7,15-17H,8H2.
What are the key properties of (2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate?
(2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate has a molecular weight of 260.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)methyl 3,5-dihydroxybenzoate is sourced from PubChem (CID 53320605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).