5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde

C19H22O2 — CID 54795214

IUPAC5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde
SMILESCCC(C)c1ccc(OCCc2ccccc2)c(C=O)c1
InChIInChI=1S/C19H22O2/c1-3-15(2)17-9-10-19(18(13-17)14-20)21-12-11-16-7-5-4-6-8-16/h4-10,13-15H,3,11-12H2,1-2H3
InChIKeyURSDTAPJIYYELV-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.63
Rot. Bonds7

About 5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde

5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde (PubChem CID 54795214) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde.

Molecular Properties

Compound Name5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde
PubChem CID54795214
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde
SMILESCCC(C)c1ccc(OCCc2ccccc2)c(C=O)c1
InChIInChI=1S/C19H22O2/c1-3-15(2)17-9-10-19(18(13-17)14-20)21-12-11-16-7-5-4-6-8-16/h4-10,13-15H,3,11-12H2,1-2H3
InChIKeyURSDTAPJIYYELV-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
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

2-phenylmethoxy-5-propan-2-ylbenzaldehyde
CID 87719757
5-phenyl-2-(2-phenylethoxy)benzaldehyde
CID 54795068
1-butan-2-yl-4-(2-phenylethoxy)benzene
CID 90246528
2-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]benzaldehyde
CID 2231461
5-methyl-2-(3-phenylpropoxy)benzaldehyde
CID 54794870
2-(2-phenylethoxy)-5-propan-2-ylaniline
CID 54853034
1-butan-2-yl-4-(3-phenylpropoxy)benzene
CID 103601085
1-benzyl-3-butan-2-ylbenzene
CID 15748559
2-(2-phenylethoxy)naphthalene-1-carbaldehyde
CID 22687262
4-butan-2-yl-2-phenylmethoxyphenol
CID 58776827
4-butan-2-yl-2-hydroxybenzaldehyde
CID 10236044
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde?
The IUPAC name of 5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde (CID 54795214) is 5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde.
What is the SMILES notation for 5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde?
The canonical SMILES for 5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde is CCC(C)c1ccc(OCCc2ccccc2)c(C=O)c1.
What is the InChIKey of 5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde?
The InChIKey is URSDTAPJIYYELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-3-15(2)17-9-10-19(18(13-17)14-20)21-12-11-16-7-5-4-6-8-16/h4-10,13-15H,3,11-12H2,1-2H3.
What are the key properties of 5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde?
5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde has a molecular weight of 282.38 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-(2-phenylethoxy)benzaldehyde is sourced from PubChem (CID 54795214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).