6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde

C19H24O3 — CID 88974535

IUPAC6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde
SMILESCC(=O)CC1C(C)CC2CC1(C=O)CC2(O)c1ccccc1
InChIInChI=1S/C19H24O3/c1-13-8-16-10-18(12-20,17(13)9-14(2)21)11-19(16,22)15-6-4-3-5-7-15/h3-7,12-13,16-17,22H,8-11H2,1-2H3
InChIKeyIJWAOJZPXBKWMR-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.10
Rot. Bonds4

About 6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde

6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde (PubChem CID 88974535) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde.

Molecular Properties

Compound Name6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde
PubChem CID88974535
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde
SMILESCC(=O)CC1C(C)CC2CC1(C=O)CC2(O)c1ccccc1
InChIInChI=1S/C19H24O3/c1-13-8-16-10-18(12-20,17(13)9-14(2)21)11-19(16,22)15-6-4-3-5-7-15/h3-7,12-13,16-17,22H,8-11H2,1-2H3
InChIKeyIJWAOJZPXBKWMR-UHFFFAOYSA-N
XLogP3.10
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-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 6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde?
The IUPAC name of 6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde (CID 88974535) is 6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde.
What is the SMILES notation for 6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde?
The canonical SMILES for 6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde is CC(=O)CC1C(C)CC2CC1(C=O)CC2(O)c1ccccc1.
What is the InChIKey of 6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde?
The InChIKey is IJWAOJZPXBKWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O3/c1-13-8-16-10-18(12-20,17(13)9-14(2)21)11-19(16,22)15-6-4-3-5-7-15/h3-7,12-13,16-17,22H,8-11H2,1-2H3.
What are the key properties of 6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde?
6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde has a molecular weight of 300.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-3-methyl-2-(2-oxopropyl)-6-phenylbicyclo[3.2.1]octane-1-carbaldehyde is sourced from PubChem (CID 88974535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).