[2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate

C14H11NO5 — CID 158380616

IUPAC[2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate
SMILESNc1c(O)ccc(C(=O)c2ccccc2O)c1OC=O
InChIInChI=1S/C14H11NO5/c15-12-11(18)6-5-9(14(12)20-7-16)13(19)8-3-1-2-4-10(8)17/h1-7,17-18H,15H2
InChIKeyGHKUCOYTCNJUGW-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.45
Rot. Bonds4

About [2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate

[2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate (PubChem CID 158380616) has the molecular formula C14H11NO5 and a molecular weight of 273.24 g/mol. Its IUPAC name is [2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate.

Molecular Properties

Compound Name[2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate
PubChem CID158380616
Molecular FormulaC14H11NO5
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name[2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate
SMILESNc1c(O)ccc(C(=O)c2ccccc2O)c1OC=O
InChIInChI=1S/C14H11NO5/c15-12-11(18)6-5-9(14(12)20-7-16)13(19)8-3-1-2-4-10(8)17/h1-7,17-18H,15H2
InChIKeyGHKUCOYTCNJUGW-UHFFFAOYSA-N
XLogP1.45
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2,6-dihydroxy-3-(2-hydroxybenzoyl)phenyl] formate
CID 158634901
amino 2-hydroxybenzoate
CID 12598418
benzene;2-hydroxybenzamide
CID 157085280
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
(3-amino-2,4-dihydroxyphenyl)-phenylmethanone;hydrochloride
CID 70538828
ethane;(2-hydroxyphenyl)-phenylmethanone;methoxymethane
CID 91515590
(2-amino-3-chloro-4-hydroxyphenyl)-(2-fluorophenyl)methanone
CID 125473497
2-hydroxybenzoic acid;praseodymium
CID 87786006
(2-aminophenyl)-(2-hydroxy-5-methylphenyl)methanone
CID 10680803
2-amino-5-(2-hydroxybenzoyl)benzene-1,3-dicarbonitrile
CID 56647959
2,3-diamino-4-hydroxybenzamide
CID 70024037

Frequently Asked Questions

What is the IUPAC name of [2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate?
The IUPAC name of [2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate (CID 158380616) is [2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate.
What is the SMILES notation for [2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate?
The canonical SMILES for [2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate is Nc1c(O)ccc(C(=O)c2ccccc2O)c1OC=O.
What is the InChIKey of [2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate?
The InChIKey is GHKUCOYTCNJUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO5/c15-12-11(18)6-5-9(14(12)20-7-16)13(19)8-3-1-2-4-10(8)17/h1-7,17-18H,15H2.
What are the key properties of [2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate?
[2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate has a molecular weight of 273.24 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-hydroxy-6-(2-hydroxybenzoyl)phenyl] formate is sourced from PubChem (CID 158380616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).