2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde

C20H23FO2 — CID 118370537

IUPAC2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde
SMILESO=CCC1(Cc2ccccc2F)CC23CC2C(O)C2CC1C3C2
InChIInChI=1S/C20H23FO2/c21-17-4-2-1-3-12(17)9-19(5-6-22)11-20-10-16(20)18(23)13-7-14(19)15(20)8-13/h1-4,6,13-16,18,23H,5,7-11H2
InChIKeyMXZSLBUXJLRBPI-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.37
Rot. Bonds4

About 2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde

2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde (PubChem CID 118370537) has the molecular formula C20H23FO2 and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde.

Molecular Properties

Compound Name2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde
PubChem CID118370537
Molecular FormulaC20H23FO2
Molecular Weight314.40 g/mol
Exact Mass314.17
IUPAC Name2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde
SMILESO=CCC1(Cc2ccccc2F)CC23CC2C(O)C2CC1C3C2
InChIInChI=1S/C20H23FO2/c21-17-4-2-1-3-12(17)9-19(5-6-22)11-20-10-16(20)18(23)13-7-14(19)15(20)8-13/h1-4,6,13-16,18,23H,5,7-11H2
InChIKeyMXZSLBUXJLRBPI-UHFFFAOYSA-N
XLogP3.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.37
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 2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde?
The IUPAC name of 2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde (CID 118370537) is 2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde.
What is the SMILES notation for 2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde?
The canonical SMILES for 2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde is O=CCC1(Cc2ccccc2F)CC23CC2C(O)C2CC1C3C2.
What is the InChIKey of 2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde?
The InChIKey is MXZSLBUXJLRBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO2/c21-17-4-2-1-3-12(17)9-19(5-6-22)11-20-10-16(20)18(23)13-7-14(19)15(20)8-13/h1-4,6,13-16,18,23H,5,7-11H2.
What are the key properties of 2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde?
2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde has a molecular weight of 314.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2-fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde is sourced from PubChem (CID 118370537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).