[2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate

C14H10O6 — CID 158634901

IUPAC[2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate
SMILESO=COc1c(O)ccc(C(=O)c2ccccc2O)c1O
InChIInChI=1S/C14H10O6/c15-7-20-14-11(17)6-5-9(13(14)19)12(18)8-3-1-2-4-10(8)16/h1-7,16-17,19H
InChIKeyBMGSLUWRLKXIST-UHFFFAOYSA-N
MW274.23 g/mol
LogP1.57
Rot. Bonds4

About [2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate

[2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate (PubChem CID 158634901) has the molecular formula C14H10O6 and a molecular weight of 274.23 g/mol. Its IUPAC name is [2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate.

Molecular Properties

Compound Name[2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate
PubChem CID158634901
Molecular FormulaC14H10O6
Molecular Weight274.23 g/mol
Exact Mass274.05
IUPAC Name[2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate
SMILESO=COc1c(O)ccc(C(=O)c2ccccc2O)c1O
InChIInChI=1S/C14H10O6/c15-7-20-14-11(17)6-5-9(13(14)19)12(18)8-3-1-2-4-10(8)16/h1-7,16-17,19H
InChIKeyBMGSLUWRLKXIST-UHFFFAOYSA-N
XLogP1.57
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate
CID 158380616
(2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone
CID 139940641
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
2-(4-hydroxynaphthalen-1-yl)-2-oxoacetaldehyde
CID 174414961
2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid
CID 21083111
1-(4-hydroxynaphthalen-1-yl)ethanone;methoxymethane
CID 174734462
1-(4-hydroxynaphthalen-1-yl)prop-2-en-1-one
CID 154150476
2-hydroxybenzoic acid;praseodymium
CID 87786006
(1,4-dihydroxynaphthalen-2-yl) formate
CID 174428973
(2,4-difluorophenyl)-(2-hydroxyphenyl)methanone
CID 11310853

Frequently Asked Questions

What is the IUPAC name of [2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate?
The IUPAC name of [2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate (CID 158634901) is [2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate.
What is the SMILES notation for [2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate?
The canonical SMILES for [2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate is O=COc1c(O)ccc(C(=O)c2ccccc2O)c1O.
What is the InChIKey of [2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate?
The InChIKey is BMGSLUWRLKXIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6/c15-7-20-14-11(17)6-5-9(13(14)19)12(18)8-3-1-2-4-10(8)16/h1-7,16-17,19H.
What are the key properties of [2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate?
[2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate has a molecular weight of 274.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate is sourced from PubChem (CID 158634901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).