2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde

C16H15ClO — CID 175663828

IUPAC2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde
SMILESCC(C)c1ccccc1-c1ccc(C=O)c(Cl)c1
InChIInChI=1S/C16H15ClO/c1-11(2)14-5-3-4-6-15(14)12-7-8-13(10-18)16(17)9-12/h3-11H,1-2H3
InChIKeyLFAUHTPHHUMOOF-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.94
Rot. Bonds3

About 2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde

2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde (PubChem CID 175663828) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde
PubChem CID175663828
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde
SMILESCC(C)c1ccccc1-c1ccc(C=O)c(Cl)c1
InChIInChI=1S/C16H15ClO/c1-11(2)14-5-3-4-6-15(14)12-7-8-13(10-18)16(17)9-12/h3-11H,1-2H3
InChIKeyLFAUHTPHHUMOOF-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-chloro-4-(2-propan-2-ylphenyl)benzaldehyde?
The IUPAC name of 2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde (CID 175663828) is 2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde.
What is the SMILES notation for 2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde?
The canonical SMILES for 2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde is CC(C)c1ccccc1-c1ccc(C=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde?
The InChIKey is LFAUHTPHHUMOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c1-11(2)14-5-3-4-6-15(14)12-7-8-13(10-18)16(17)9-12/h3-11H,1-2H3.
What are the key properties of 2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde?
2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde has a molecular weight of 258.75 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-propan-2-ylphenyl)benzaldehyde is sourced from PubChem (CID 175663828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).