1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde

C11H12O2 — CID 91535825

IUPAC1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde
SMILESO=CC1(O)CCCc2ccccc21
InChIInChI=1S/C11H12O2/c12-8-11(13)7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,13H,3,5,7H2
InChIKeyIESDAPXDYODHGX-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.41
Rot. Bonds1

About 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde

1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde (PubChem CID 91535825) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde
PubChem CID91535825
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde
SMILESO=CC1(O)CCCc2ccccc21
InChIInChI=1S/C11H12O2/c12-8-11(13)7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,13H,3,5,7H2
InChIKeyIESDAPXDYODHGX-UHFFFAOYSA-N
XLogP1.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde?
The IUPAC name of 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde (CID 91535825) is 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde.
What is the SMILES notation for 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde?
The canonical SMILES for 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde is O=CC1(O)CCCc2ccccc21.
What is the InChIKey of 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde?
The InChIKey is IESDAPXDYODHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c12-8-11(13)7-3-5-9-4-1-2-6-10(9)11/h1-2,4,6,8,13H,3,5,7H2.
What are the key properties of 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde?
1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde has a molecular weight of 176.22 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,4-dihydro-2H-naphthalene-1-carbaldehyde is sourced from PubChem (CID 91535825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).