1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde

C11H12O3 — CID 22129630

IUPAC1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
SMILESO=CC1CC(O)c2ccccc2C1O
InChIInChI=1S/C11H12O3/c12-6-7-5-10(13)8-3-1-2-4-9(8)11(7)14/h1-4,6-7,10-11,13-14H,5H2
InChIKeyDSGLWEFWUBHTNV-UHFFFAOYSA-N
MW192.21 g/mol
LogP0.97
Rot. Bonds1

About 1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde

1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde (PubChem CID 22129630) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
PubChem CID22129630
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde
SMILESO=CC1CC(O)c2ccccc2C1O
InChIInChI=1S/C11H12O3/c12-6-7-5-10(13)8-3-1-2-4-9(8)11(7)14/h1-4,6-7,10-11,13-14H,5H2
InChIKeyDSGLWEFWUBHTNV-UHFFFAOYSA-N
XLogP0.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
The IUPAC name of 1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde (CID 22129630) is 1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde.
What is the SMILES notation for 1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
The canonical SMILES for 1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde is O=CC1CC(O)c2ccccc2C1O.
What is the InChIKey of 1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
The InChIKey is DSGLWEFWUBHTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-6-7-5-10(13)8-3-1-2-4-9(8)11(7)14/h1-4,6-7,10-11,13-14H,5H2.
What are the key properties of 1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde?
1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde has a molecular weight of 192.21 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxy-1,2,3,4-tetrahydronaphthalene-2-carbaldehyde is sourced from PubChem (CID 22129630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).