7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

C11H11BrO2 — CID 174628781

IUPAC7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESO=CC1CCCc2c(O)cc(Br)cc21
InChIInChI=1S/C11H11BrO2/c12-8-4-10-7(6-13)2-1-3-9(10)11(14)5-8/h4-7,14H,1-3H2
InChIKeyYFAPVIOWFQZUMJ-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.77
Rot. Bonds1

About 7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde

7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (PubChem CID 174628781) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
PubChem CID174628781
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
SMILESO=CC1CCCc2c(O)cc(Br)cc21
InChIInChI=1S/C11H11BrO2/c12-8-4-10-7(6-13)2-1-3-9(10)11(14)5-8/h4-7,14H,1-3H2
InChIKeyYFAPVIOWFQZUMJ-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The IUPAC name of 7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde (CID 174628781) is 7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde.
What is the SMILES notation for 7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The canonical SMILES for 7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is O=CC1CCCc2c(O)cc(Br)cc21.
What is the InChIKey of 7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
The InChIKey is YFAPVIOWFQZUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c12-8-4-10-7(6-13)2-1-3-9(10)11(14)5-8/h4-7,14H,1-3H2.
What are the key properties of 7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde?
7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde has a molecular weight of 255.11 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde is sourced from PubChem (CID 174628781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).