3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde

C17H18O2 — CID 59342610

IUPAC3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde
SMILESCCc1cc(O)cc(CC)c1-c1cccc(C=O)c1
InChIInChI=1S/C17H18O2/c1-3-13-9-16(19)10-14(4-2)17(13)15-7-5-6-12(8-15)11-18/h5-11,19H,3-4H2,1-2H3
InChIKeyOYWYWEGYQOHEAU-UHFFFAOYSA-N
MW254.33 g/mol
LogP4.00
Rot. Bonds4

About 3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde

3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde (PubChem CID 59342610) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde.

Molecular Properties

Compound Name3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde
PubChem CID59342610
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde
SMILESCCc1cc(O)cc(CC)c1-c1cccc(C=O)c1
InChIInChI=1S/C17H18O2/c1-3-13-9-16(19)10-14(4-2)17(13)15-7-5-6-12(8-15)11-18/h5-11,19H,3-4H2,1-2H3
InChIKeyOYWYWEGYQOHEAU-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde?
The IUPAC name of 3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde (CID 59342610) is 3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde.
What is the SMILES notation for 3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde?
The canonical SMILES for 3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde is CCc1cc(O)cc(CC)c1-c1cccc(C=O)c1.
What is the InChIKey of 3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde?
The InChIKey is OYWYWEGYQOHEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-3-13-9-16(19)10-14(4-2)17(13)15-7-5-6-12(8-15)11-18/h5-11,19H,3-4H2,1-2H3.
What are the key properties of 3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde?
3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde has a molecular weight of 254.33 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-diethyl-4-hydroxyphenyl)benzaldehyde is sourced from PubChem (CID 59342610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).