2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde

C15H12ClFO2 — CID 172653782

IUPAC2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde
SMILESCCOc1ccc(C=O)c(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H12ClFO2/c1-2-19-12-5-3-10(9-18)13(8-12)14-7-11(17)4-6-15(14)16/h3-9H,2H2,1H3
InChIKeyQSKDUNCZHKYFJP-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.36
Rot. Bonds4

About 2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde

2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde (PubChem CID 172653782) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde
PubChem CID172653782
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde
SMILESCCOc1ccc(C=O)c(-c2cc(F)ccc2Cl)c1
InChIInChI=1S/C15H12ClFO2/c1-2-19-12-5-3-10(9-18)13(8-12)14-7-11(17)4-6-15(14)16/h3-9H,2H2,1H3
InChIKeyQSKDUNCZHKYFJP-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-(2-chloro-5-fluorophenyl)-4-ethoxyphenyl]methanamine
CID 172653787
2-(2-chloro-5-fluorophenyl)-4,5-difluorobenzaldehyde
CID 172909457
2-(2-amino-3-pyridinyl)-4-ethoxybenzaldehyde
CID 166594807
4-chloro-2-ethoxy-3-fluorobenzaldehyde
CID 163198085
4-chloro-3-(2-chloro-5-fluorophenyl)benzaldehyde
CID 172653843
1-chloro-2-ethoxy-4-fluorobenzene
CID 2773702
(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105394638
4-[2-(4-ethoxyphenyl)ethyl]-2-fluorobenzaldehyde
CID 58047174
(4-ethoxy-2-formylphenyl)boronic acid
CID 52987974
3-(2-chloro-5-fluorophenyl)-4-methylbenzaldehyde
CID 105408282
2-(4-chloro-3-fluorophenyl)-5-(2-methoxyethoxy)benzaldehyde
CID 172653691
3-(2-chloro-5-fluorophenyl)pentanal
CID 83835553

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde (CID 172653782) is 2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde is CCOc1ccc(C=O)c(-c2cc(F)ccc2Cl)c1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde?
The InChIKey is QSKDUNCZHKYFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-2-19-12-5-3-10(9-18)13(8-12)14-7-11(17)4-6-15(14)16/h3-9H,2H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde?
2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde has a molecular weight of 278.71 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-4-ethoxybenzaldehyde is sourced from PubChem (CID 172653782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).