4-(4-hexylphenoxy)benzaldehyde

C19H22O2 — CID 142415162

IUPAC4-(4-hexylphenoxy)benzaldehyde
SMILESCCCCCCc1ccc(Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C19H22O2/c1-2-3-4-5-6-16-7-11-18(12-8-16)21-19-13-9-17(15-20)10-14-19/h7-15H,2-6H2,1H3
InChIKeyKGZJGRJQTPUARX-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.41
Rot. Bonds8

About 4-(4-hexylphenoxy)benzaldehyde

4-(4-hexylphenoxy)benzaldehyde (PubChem CID 142415162) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-(4-hexylphenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(4-hexylphenoxy)benzaldehyde
PubChem CID142415162
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name4-(4-hexylphenoxy)benzaldehyde
SMILESCCCCCCc1ccc(Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C19H22O2/c1-2-3-4-5-6-16-7-11-18(12-8-16)21-19-13-9-17(15-20)10-14-19/h7-15H,2-6H2,1H3
InChIKeyKGZJGRJQTPUARX-UHFFFAOYSA-N
XLogP5.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-butylphenoxy)benzaldehyde
CID 10824839
1-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
ethane;4-pentylbenzaldehyde
CID 143882863
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
acetaldehyde;1-methyl-4-(4-pentylphenoxy)benzene
CID 142415124
4-[6-(4-formylphenyl)hexyl]benzaldehyde
CID 174975156
(4-pentylphenyl) 4-formylbenzoate
CID 14085632
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
1-nonyl-4-(4-nonylphenoxy)benzene;2-silylethylsilane
CID 173283482
4-(4-dodecylphenoxy)phenol
CID 134258509
heptane;4-(2-hydroxyethyl)benzaldehyde
CID 158446902

Frequently Asked Questions

What is the IUPAC name of 4-(4-hexylphenoxy)benzaldehyde?
The IUPAC name of 4-(4-hexylphenoxy)benzaldehyde (CID 142415162) is 4-(4-hexylphenoxy)benzaldehyde.
What is the SMILES notation for 4-(4-hexylphenoxy)benzaldehyde?
The canonical SMILES for 4-(4-hexylphenoxy)benzaldehyde is CCCCCCc1ccc(Oc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-(4-hexylphenoxy)benzaldehyde?
The InChIKey is KGZJGRJQTPUARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-3-4-5-6-16-7-11-18(12-8-16)21-19-13-9-17(15-20)10-14-19/h7-15H,2-6H2,1H3.
What are the key properties of 4-(4-hexylphenoxy)benzaldehyde?
4-(4-hexylphenoxy)benzaldehyde has a molecular weight of 282.38 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hexylphenoxy)benzaldehyde is sourced from PubChem (CID 142415162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).