3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde

C11H8O3 — CID 173063518

IUPAC3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde
SMILESO=CC1C(=O)c2ccccc2C=C1O
InChIInChI=1S/C11H8O3/c12-6-9-10(13)5-7-3-1-2-4-8(7)11(9)14/h1-6,9,13H
InChIKeyAILJUOLBQJFQQM-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.60
Rot. Bonds1

About 3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde

3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde (PubChem CID 173063518) has the molecular formula C11H8O3 and a molecular weight of 188.18 g/mol. Its IUPAC name is 3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde
PubChem CID173063518
Molecular FormulaC11H8O3
Molecular Weight188.18 g/mol
Exact Mass188.05
IUPAC Name3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde
SMILESO=CC1C(=O)c2ccccc2C=C1O
InChIInChI=1S/C11H8O3/c12-6-9-10(13)5-7-3-1-2-4-8(7)11(9)14/h1-6,9,13H
InChIKeyAILJUOLBQJFQQM-UHFFFAOYSA-N
XLogP1.60
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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1-fluoro-1H-inden-2-ol
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2-hydroxyindene-1,3-dione
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1,3-dioxo-4H-isoquinoline-4-carbaldehyde
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(14R)-14,16-ditert-butyl-15,18-dioxapentacyclo[10.5.1.02,11.04,9.013,17]octadeca-1(17),4,6,8,10,12-hexaen-3-one
CID 163756950
2-[(2,3-dioxo-1H-inden-1-yl)methylidene]propanedinitrile
CID 18625073
N-[(1-oxoinden-2-yl)methylidene]formamide
CID 140984070
9-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carbaldehyde
CID 19958800
4-(1,3-dioxoisoindol-2-yl)cyclohexane-1-carbaldehyde
CID 173386618
(1S,3R,12S,14S)-2,13-dithiapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5,7,9,16,18,20-hexaene-4,11,15,22-tetrone
CID 98085181

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde?
The IUPAC name of 3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde (CID 173063518) is 3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde.
What is the SMILES notation for 3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde?
The canonical SMILES for 3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde is O=CC1C(=O)c2ccccc2C=C1O.
What is the InChIKey of 3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde?
The InChIKey is AILJUOLBQJFQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3/c12-6-9-10(13)5-7-3-1-2-4-8(7)11(9)14/h1-6,9,13H.
What are the key properties of 3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde?
3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde has a molecular weight of 188.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-oxo-2H-naphthalene-2-carbaldehyde is sourced from PubChem (CID 173063518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).