3-(4-butan-2-ylphenoxy)benzaldehyde

C17H18O2 — CID 107665630

IUPAC3-(4-butan-2-ylphenoxy)benzaldehyde
SMILESCCC(C)c1ccc(Oc2cccc(C=O)c2)cc1
InChIInChI=1S/C17H18O2/c1-3-13(2)15-7-9-16(10-8-15)19-17-6-4-5-14(11-17)12-18/h4-13H,3H2,1-2H3
InChIKeyWOBKMSGRIGXQLY-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.80
Rot. Bonds5

About 3-(4-butan-2-ylphenoxy)benzaldehyde

3-(4-butan-2-ylphenoxy)benzaldehyde (PubChem CID 107665630) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(4-butan-2-ylphenoxy)benzaldehyde.

Molecular Properties

Compound Name3-(4-butan-2-ylphenoxy)benzaldehyde
PubChem CID107665630
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-(4-butan-2-ylphenoxy)benzaldehyde
SMILESCCC(C)c1ccc(Oc2cccc(C=O)c2)cc1
InChIInChI=1S/C17H18O2/c1-3-13(2)15-7-9-16(10-8-15)19-17-6-4-5-14(11-17)12-18/h4-13H,3H2,1-2H3
InChIKeyWOBKMSGRIGXQLY-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.80
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

1-butan-2-yl-4-(3-chlorophenoxy)benzene
CID 90872043
1-[3-(4-butan-2-ylphenoxy)phenyl]ethanamine
CID 107665344
3-(4-bromophenoxy)benzaldehyde;ethane
CID 143176303
3-(4-bromophenoxy)benzaldehyde
CID 12874363
ethyl 3-[4-[(2R)-butan-2-yl]phenoxy]benzoate
CID 7100431
3-[4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenoxy]benzaldehyde
CID 85417491
2-amino-5-(4-butan-2-ylphenoxy)benzoic acid
CID 107667442
3-(3,5-dimethoxyphenoxy)benzaldehyde
CID 63944242
[4-(4-butan-2-ylphenoxy)phenyl]methanamine
CID 107663619
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326
4-(3-formylphenoxy)benzonitrile
CID 13238540
3-butoxybenzaldehyde;ethane
CID 91380350

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylphenoxy)benzaldehyde?
The IUPAC name of 3-(4-butan-2-ylphenoxy)benzaldehyde (CID 107665630) is 3-(4-butan-2-ylphenoxy)benzaldehyde.
What is the SMILES notation for 3-(4-butan-2-ylphenoxy)benzaldehyde?
The canonical SMILES for 3-(4-butan-2-ylphenoxy)benzaldehyde is CCC(C)c1ccc(Oc2cccc(C=O)c2)cc1.
What is the InChIKey of 3-(4-butan-2-ylphenoxy)benzaldehyde?
The InChIKey is WOBKMSGRIGXQLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-13(2)15-7-9-16(10-8-15)19-17-6-4-5-14(11-17)12-18/h4-13H,3H2,1-2H3.
What are the key properties of 3-(4-butan-2-ylphenoxy)benzaldehyde?
3-(4-butan-2-ylphenoxy)benzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylphenoxy)benzaldehyde is sourced from PubChem (CID 107665630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).