(2-formyl-3-hydroxyphenyl)carbamic acid

C8H7NO4 — CID 90457629

IUPAC(2-formyl-3-hydroxyphenyl)carbamic acid
SMILESO=Cc1c(O)cccc1NC(=O)O
InChIInChI=1S/C8H7NO4/c10-4-5-6(9-8(12)13)2-1-3-7(5)11/h1-4,9,11H,(H,12,13)
InChIKeySIAXQHJSEBAJPH-UHFFFAOYSA-N
MW181.15 g/mol
LogP1.29
Rot. Bonds2

About (2-formyl-3-hydroxyphenyl)carbamic acid

(2-formyl-3-hydroxyphenyl)carbamic acid (PubChem CID 90457629) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is (2-formyl-3-hydroxyphenyl)carbamic acid.

Molecular Properties

Compound Name(2-formyl-3-hydroxyphenyl)carbamic acid
PubChem CID90457629
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name(2-formyl-3-hydroxyphenyl)carbamic acid
SMILESO=Cc1c(O)cccc1NC(=O)O
InChIInChI=1S/C8H7NO4/c10-4-5-6(9-8(12)13)2-1-3-7(5)11/h1-4,9,11H,(H,12,13)
InChIKeySIAXQHJSEBAJPH-UHFFFAOYSA-N
XLogP1.29
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetamido-2-formylphenyl)acetamide
CID 54088843
2,6-dihydroxybenzaldehyde;formaldehyde
CID 158378810
(2-formylquinolin-8-yl)carbamic acid
CID 89350844
N-(5-formyl-6-hydroxynaphthalen-1-yl)-2-methylprop-2-enamide
CID 163702542
(3-chloro-2-iodophenyl)carbamic acid
CID 122610663
(2-bromophenyl)carbamic acid
CID 15021878
N-(3-chloro-2-formylphenyl)propanamide
CID 159798849
(3-amino-2-tert-butylphenyl)carbamic acid
CID 151705129
[2-[(5-formylthiophene-2-carbonyl)amino]phenyl]carbamic acid
CID 87078760
(6-formyl-2-pyridinyl)carbamic acid
CID 87302689
(2-formyl-3-hydroxyphenyl) carbamate
CID 175040502
2-hydroxy-6-propan-2-ylbenzaldehyde
CID 45096217

Frequently Asked Questions

What is the IUPAC name of (2-formyl-3-hydroxyphenyl)carbamic acid?
The IUPAC name of (2-formyl-3-hydroxyphenyl)carbamic acid (CID 90457629) is (2-formyl-3-hydroxyphenyl)carbamic acid.
What is the SMILES notation for (2-formyl-3-hydroxyphenyl)carbamic acid?
The canonical SMILES for (2-formyl-3-hydroxyphenyl)carbamic acid is O=Cc1c(O)cccc1NC(=O)O.
What is the InChIKey of (2-formyl-3-hydroxyphenyl)carbamic acid?
The InChIKey is SIAXQHJSEBAJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4/c10-4-5-6(9-8(12)13)2-1-3-7(5)11/h1-4,9,11H,(H,12,13).
What are the key properties of (2-formyl-3-hydroxyphenyl)carbamic acid?
(2-formyl-3-hydroxyphenyl)carbamic acid has a molecular weight of 181.15 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-formyl-3-hydroxyphenyl)carbamic acid is sourced from PubChem (CID 90457629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).