[4-(2-formamidoethyl)-2-hydroxyphenyl] formate

C10H11NO4 — CID 88543683

IUPAC[4-(2-formamidoethyl)-2-hydroxyphenyl] formate
SMILESO=CNCCc1ccc(OC=O)c(O)c1
InChIInChI=1S/C10H11NO4/c12-6-11-4-3-8-1-2-10(15-7-13)9(14)5-8/h1-2,5-7,14H,3-4H2,(H,11,12)
InChIKeyCJTHNCHQOUNECA-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.22
Rot. Bonds6

About [4-(2-formamidoethyl)-2-hydroxyphenyl] formate

[4-(2-formamidoethyl)-2-hydroxyphenyl] formate (PubChem CID 88543683) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is [4-(2-formamidoethyl)-2-hydroxyphenyl] formate.

Molecular Properties

Compound Name[4-(2-formamidoethyl)-2-hydroxyphenyl] formate
PubChem CID88543683
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name[4-(2-formamidoethyl)-2-hydroxyphenyl] formate
SMILESO=CNCCc1ccc(OC=O)c(O)c1
InChIInChI=1S/C10H11NO4/c12-6-11-4-3-8-1-2-10(15-7-13)9(14)5-8/h1-2,5-7,14H,3-4H2,(H,11,12)
InChIKeyCJTHNCHQOUNECA-UHFFFAOYSA-N
XLogP0.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3,4-bis(trideuteriomethoxy)phenyl]ethyl]formamide
CID 54765059
[2-amino-5-(2-formamidoethyl)phenyl] carbamate
CID 123171973
N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide
CID 87434130
(2-hydroxy-4-methylphenyl) formate
CID 58909986
2-(3-hydroxy-4-methoxyphenyl)ethylcarbamic acid
CID 174214574
N-[3-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]propyl]formamide
CID 108891394
2-chloro-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]acetamide
CID 82110100
methane;N-(2-phenylethyl)formamide
CID 143644399
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
4-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]benzene-1,2-diol
CID 3027257
propyl N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]carbamate
CID 23563491

Frequently Asked Questions

What is the IUPAC name of [4-(2-formamidoethyl)-2-hydroxyphenyl] formate?
The IUPAC name of [4-(2-formamidoethyl)-2-hydroxyphenyl] formate (CID 88543683) is [4-(2-formamidoethyl)-2-hydroxyphenyl] formate.
What is the SMILES notation for [4-(2-formamidoethyl)-2-hydroxyphenyl] formate?
The canonical SMILES for [4-(2-formamidoethyl)-2-hydroxyphenyl] formate is O=CNCCc1ccc(OC=O)c(O)c1.
What is the InChIKey of [4-(2-formamidoethyl)-2-hydroxyphenyl] formate?
The InChIKey is CJTHNCHQOUNECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c12-6-11-4-3-8-1-2-10(15-7-13)9(14)5-8/h1-2,5-7,14H,3-4H2,(H,11,12).
What are the key properties of [4-(2-formamidoethyl)-2-hydroxyphenyl] formate?
[4-(2-formamidoethyl)-2-hydroxyphenyl] formate has a molecular weight of 209.20 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-formamidoethyl)-2-hydroxyphenyl] formate is sourced from PubChem (CID 88543683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).