2-chloro-4-(3-propylphenoxy)benzaldehyde

C16H15ClO2 — CID 58022595

IUPAC2-chloro-4-(3-propylphenoxy)benzaldehyde
SMILESCCCc1cccc(Oc2ccc(C=O)c(Cl)c2)c1
InChIInChI=1S/C16H15ClO2/c1-2-4-12-5-3-6-14(9-12)19-15-8-7-13(11-18)16(17)10-15/h3,5-11H,2,4H2,1H3
InChIKeyGBTLSLOKTXVIPP-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.90
Rot. Bonds5

About 2-chloro-4-(3-propylphenoxy)benzaldehyde

2-chloro-4-(3-propylphenoxy)benzaldehyde (PubChem CID 58022595) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-4-(3-propylphenoxy)benzaldehyde.

Molecular Properties

Compound Name2-chloro-4-(3-propylphenoxy)benzaldehyde
PubChem CID58022595
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name2-chloro-4-(3-propylphenoxy)benzaldehyde
SMILESCCCc1cccc(Oc2ccc(C=O)c(Cl)c2)c1
InChIInChI=1S/C16H15ClO2/c1-2-4-12-5-3-6-14(9-12)19-15-8-7-13(11-18)16(17)10-15/h3,5-11H,2,4H2,1H3
InChIKeyGBTLSLOKTXVIPP-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.90
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-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 114064170
1-methoxy-3-(3-propylphenoxy)benzene
CID 153343611
2-chloro-4-(3,4-dichlorophenoxy)benzaldehyde
CID 114064183
1-fluoro-4-(3-propylphenoxy)benzene
CID 54416846
1-methoxy-3-propylbenzene
CID 14270128
4-butyl-2-chlorobenzaldehyde
CID 106659115
1-pentyl-3-(4-propylphenoxy)benzene
CID 58062247
1-chloro-3-propylbenzene;formyl chloride
CID 174310499
N-[[3-(4-propylphenoxy)phenyl]methyl]ethanamine
CID 63942334
4-chloro-2-(3-propylphenyl)benzaldehyde
CID 116545276
1-(3-iodopropyl)-3-(4-propylphenoxy)benzene
CID 25223077
(2R)-2-amino-5-[2-chloro-4-(3-propylphenoxy)phenyl]-2-methylpentan-1-ol;hydrochloride
CID 68588137

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-propylphenoxy)benzaldehyde?
The IUPAC name of 2-chloro-4-(3-propylphenoxy)benzaldehyde (CID 58022595) is 2-chloro-4-(3-propylphenoxy)benzaldehyde.
What is the SMILES notation for 2-chloro-4-(3-propylphenoxy)benzaldehyde?
The canonical SMILES for 2-chloro-4-(3-propylphenoxy)benzaldehyde is CCCc1cccc(Oc2ccc(C=O)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-(3-propylphenoxy)benzaldehyde?
The InChIKey is GBTLSLOKTXVIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2/c1-2-4-12-5-3-6-14(9-12)19-15-8-7-13(11-18)16(17)10-15/h3,5-11H,2,4H2,1H3.
What are the key properties of 2-chloro-4-(3-propylphenoxy)benzaldehyde?
2-chloro-4-(3-propylphenoxy)benzaldehyde has a molecular weight of 274.75 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-propylphenoxy)benzaldehyde is sourced from PubChem (CID 58022595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).