2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde

C16H15FO2 — CID 23352348

IUPAC2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde
SMILESCC(C)c1ccc(O)c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C16H15FO2/c1-10(2)13-7-8-15(19)16(14(13)9-18)11-3-5-12(17)6-4-11/h3-10,19H,1-2H3
InChIKeyVWLMPTZVQFOZGK-UHFFFAOYSA-N
MW258.29 g/mol
LogP4.13
Rot. Bonds3

About 2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde

2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde (PubChem CID 23352348) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde
PubChem CID23352348
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde
SMILESCC(C)c1ccc(O)c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C16H15FO2/c1-10(2)13-7-8-15(19)16(14(13)9-18)11-3-5-12(17)6-4-11/h3-10,19H,1-2H3
InChIKeyVWLMPTZVQFOZGK-UHFFFAOYSA-N
XLogP4.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 54.13
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-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde?
The IUPAC name of 2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde (CID 23352348) is 2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde.
What is the SMILES notation for 2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde?
The canonical SMILES for 2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde is CC(C)c1ccc(O)c(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde?
The InChIKey is VWLMPTZVQFOZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-10(2)13-7-8-15(19)16(14(13)9-18)11-3-5-12(17)6-4-11/h3-10,19H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde?
2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde has a molecular weight of 258.29 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde is sourced from PubChem (CID 23352348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).