2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol

C19H23FO3 — CID 143636518

IUPAC2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol
SMILESCO.O=CCC1(c2ccc(F)cc2)C2CC3CC24C(CC14)[C@@H]3O
InChIInChI=1S/C18H19FO2.CH4O/c19-12-3-1-11(2-4-12)17(5-6-20)14-7-10-9-18(14)13(16(10)21)8-15(17)18;1-2/h1-4,6,10,13-16,21H,5,7-9H2;2H,1H3/t10?,13?,14?,15?,16-,17?,18?;/m1./s1
InChIKeyOSOGAYSHEZPGMA-PUPHNEMDSA-N
MW318.39 g/mol
LogP2.30
Rot. Bonds3

About 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol

2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol (PubChem CID 143636518) has the molecular formula C19H23FO3 and a molecular weight of 318.39 g/mol. Its IUPAC name is 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol.

Molecular Properties

Compound Name2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol
PubChem CID143636518
Molecular FormulaC19H23FO3
Molecular Weight318.39 g/mol
Exact Mass318.16
IUPAC Name2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol
SMILESCO.O=CCC1(c2ccc(F)cc2)C2CC3CC24C(CC14)[C@@H]3O
InChIInChI=1S/C18H19FO2.CH4O/c19-12-3-1-11(2-4-12)17(5-6-20)14-7-10-9-18(14)13(16(10)21)8-15(17)18;1-2/h1-4,6,10,13-16,21H,5,7-9H2;2H,1H3/t10?,13?,14?,15?,16-,17?,18?;/m1./s1
InChIKeyOSOGAYSHEZPGMA-PUPHNEMDSA-N
XLogP2.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 52.30
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 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol?
The IUPAC name of 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol (CID 143636518) is 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol.
What is the SMILES notation for 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol?
The canonical SMILES for 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol is CO.O=CCC1(c2ccc(F)cc2)C2CC3CC24C(CC14)[C@@H]3O.
What is the InChIKey of 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol?
The InChIKey is OSOGAYSHEZPGMA-PUPHNEMDSA-N. The full InChI is InChI=1S/C18H19FO2.CH4O/c19-12-3-1-11(2-4-12)17(5-6-20)14-7-10-9-18(14)13(16(10)21)8-15(17)18;1-2/h1-4,6,10,13-16,21H,5,7-9H2;2H,1H3/t10?,13?,14?,15?,16-,17?,18?;/m1./s1.
What are the key properties of 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol?
2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol has a molecular weight of 318.39 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(10R)-4-(4-fluorophenyl)-10-hydroxy-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetaldehyde;methanol is sourced from PubChem (CID 143636518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).