4-(4-butylphenoxy)benzaldehyde

C17H18O2 — CID 10824839

IUPAC4-(4-butylphenoxy)benzaldehyde
SMILESCCCCc1ccc(Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C17H18O2/c1-2-3-4-14-5-9-16(10-6-14)19-17-11-7-15(13-18)8-12-17/h5-13H,2-4H2,1H3
InChIKeyHUJKWEGNAJFQRV-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.63
Rot. Bonds6

About 4-(4-butylphenoxy)benzaldehyde

4-(4-butylphenoxy)benzaldehyde (PubChem CID 10824839) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-(4-butylphenoxy)benzaldehyde.

Molecular Properties

Compound Name4-(4-butylphenoxy)benzaldehyde
PubChem CID10824839
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name4-(4-butylphenoxy)benzaldehyde
SMILESCCCCc1ccc(Oc2ccc(C=O)cc2)cc1
InChIInChI=1S/C17H18O2/c1-2-3-4-14-5-9-16(10-6-14)19-17-11-7-15(13-18)8-12-17/h5-13H,2-4H2,1H3
InChIKeyHUJKWEGNAJFQRV-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.63
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

4-(4-hexylphenoxy)benzaldehyde
CID 142415162
ethane;4-pentylbenzaldehyde
CID 143882863
1-octyl-4-[2-[4-[4-[2-(4-octylphenyl)ethenyl]phenoxy]phenyl]ethenyl]benzene
CID 72543276
4-(4-decoxyphenoxy)benzaldehyde
CID 22713263
1-tetracosyl-4-(4-tetracosylphenoxy)benzene
CID 57157299
acetaldehyde;1-methyl-4-(4-pentylphenoxy)benzene
CID 142415124
4-[1-(4-butylphenyl)ethenyl]benzaldehyde
CID 87673195
(4-pentylphenyl) 4-formylbenzoate
CID 14085632
N-(4-butylphenyl)-2-(4-formylphenoxy)acetamide
CID 23409214
4-[4-(4-formylphenoxy)butyl]benzaldehyde
CID 87112127
4-[6-(4-formylphenyl)hexyl]benzaldehyde
CID 174975156
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517

Frequently Asked Questions

What is the IUPAC name of 4-(4-butylphenoxy)benzaldehyde?
The IUPAC name of 4-(4-butylphenoxy)benzaldehyde (CID 10824839) is 4-(4-butylphenoxy)benzaldehyde.
What is the SMILES notation for 4-(4-butylphenoxy)benzaldehyde?
The canonical SMILES for 4-(4-butylphenoxy)benzaldehyde is CCCCc1ccc(Oc2ccc(C=O)cc2)cc1.
What is the InChIKey of 4-(4-butylphenoxy)benzaldehyde?
The InChIKey is HUJKWEGNAJFQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-2-3-4-14-5-9-16(10-6-14)19-17-11-7-15(13-18)8-12-17/h5-13H,2-4H2,1H3.
What are the key properties of 4-(4-butylphenoxy)benzaldehyde?
4-(4-butylphenoxy)benzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butylphenoxy)benzaldehyde is sourced from PubChem (CID 10824839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).