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

C16H14ClFO2 — CID 23352465

IUPAC4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde
SMILESCC(C)c1cc(Cl)c(O)c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C16H14ClFO2/c1-9(2)12-7-14(17)16(20)15(13(12)8-19)10-3-5-11(18)6-4-10/h3-9,20H,1-2H3
InChIKeyPTGMWONPDQEEJM-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.79
Rot. Bonds3

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

4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde (PubChem CID 23352465) has the molecular formula C16H14ClFO2 and a molecular weight of 292.74 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde
PubChem CID23352465
Molecular FormulaC16H14ClFO2
Molecular Weight292.74 g/mol
Exact Mass292.07
IUPAC Name4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde
SMILESCC(C)c1cc(Cl)c(O)c(-c2ccc(F)cc2)c1C=O
InChIInChI=1S/C16H14ClFO2/c1-9(2)12-7-14(17)16(20)15(13(12)8-19)10-3-5-11(18)6-4-10/h3-9,20H,1-2H3
InChIKeyPTGMWONPDQEEJM-UHFFFAOYSA-N
XLogP4.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.79
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 4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde?
The IUPAC name of 4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde (CID 23352465) is 4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde.
What is the SMILES notation for 4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde?
The canonical SMILES for 4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde is CC(C)c1cc(Cl)c(O)c(-c2ccc(F)cc2)c1C=O.
What is the InChIKey of 4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde?
The InChIKey is PTGMWONPDQEEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO2/c1-9(2)12-7-14(17)16(20)15(13(12)8-19)10-3-5-11(18)6-4-10/h3-9,20H,1-2H3.
What are the key properties of 4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde?
4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde has a molecular weight of 292.74 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorophenyl)-3-hydroxy-6-propan-2-ylbenzaldehyde is sourced from PubChem (CID 23352465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).