2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde

C18H20O — CID 66257438

IUPAC2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde
SMILESCCC(C)(C)c1ccc(-c2ccccc2C=O)cc1
InChIInChI=1S/C18H20O/c1-4-18(2,3)16-11-9-14(10-12-16)17-8-6-5-7-15(17)13-19/h5-13H,4H2,1-3H3
InChIKeyFXXRBXVBHNARRJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.85
Rot. Bonds4

About 2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde

2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde (PubChem CID 66257438) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde
PubChem CID66257438
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde
SMILESCCC(C)(C)c1ccc(-c2ccccc2C=O)cc1
InChIInChI=1S/C18H20O/c1-4-18(2,3)16-11-9-14(10-12-16)17-8-6-5-7-15(17)13-19/h5-13H,4H2,1-3H3
InChIKeyFXXRBXVBHNARRJ-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde?
The IUPAC name of 2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde (CID 66257438) is 2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde.
What is the SMILES notation for 2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde?
The canonical SMILES for 2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde is CCC(C)(C)c1ccc(-c2ccccc2C=O)cc1.
What is the InChIKey of 2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde?
The InChIKey is FXXRBXVBHNARRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-4-18(2,3)16-11-9-14(10-12-16)17-8-6-5-7-15(17)13-19/h5-13H,4H2,1-3H3.
What are the key properties of 2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde?
2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde has a molecular weight of 252.36 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutan-2-yl)phenyl]benzaldehyde is sourced from PubChem (CID 66257438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).