6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde

C13H8O2 — CID 165164881

IUPAC6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde
SMILESC#Cc1ccc2c(C=O)c(O)ccc2c1
InChIInChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H
InChIKeyZGPOBGPUMFLBIQ-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.34
Rot. Bonds1

About 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde

6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde (PubChem CID 165164881) has the molecular formula C13H8O2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde
PubChem CID165164881
Molecular FormulaC13H8O2
Molecular Weight196.20 g/mol
Exact Mass196.05
IUPAC Name6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde
SMILESC#Cc1ccc2c(C=O)c(O)ccc2c1
InChIInChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H
InChIKeyZGPOBGPUMFLBIQ-UHFFFAOYSA-N
XLogP2.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethynyl-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 10018263
7-ethyl-2-hydroxynaphthalene-1-carbaldehyde
CID 89338488
2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid
CID 88947014
2-ethynyl-7-iodophenanthrene
CID 131953556
6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde
CID 126763631
2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde
CID 126763632
6-ethynylnaphthalene-1-carboxylic acid
CID 22338976
N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide
CID 146414088
4-ethynylphthalaldehyde
CID 141496922
6-bromo-2-hydroxynaphthalene-1-carbaldehyde;2-hydroxy-5-nitronaphthalene-1-carbaldehyde
CID 159092993
2-amino-4-[1-[2-(3-amino-4-hydroxyphenoxy)-6-ethynylnaphthalen-1-yl]naphthalen-2-yl]oxyphenol
CID 139999574
1,6-bis(prop-1-ynyl)naphthalen-2-ol
CID 90345843

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde?
The IUPAC name of 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde (CID 165164881) is 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde?
The canonical SMILES for 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde is C#Cc1ccc2c(C=O)c(O)ccc2c1.
What is the InChIKey of 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde?
The InChIKey is ZGPOBGPUMFLBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2/c1-2-9-3-5-11-10(7-9)4-6-13(15)12(11)8-14/h1,3-8,15H.
What are the key properties of 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde?
6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde has a molecular weight of 196.20 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 165164881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).