4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde

C18H20O2 — CID 83663000

IUPAC4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(C(C)(C)C)cc1-c1ccc(C=O)cc1
InChIInChI=1S/C18H20O2/c1-18(2,3)15-9-10-17(20-4)16(11-15)14-7-5-13(12-19)6-8-14/h5-12H,1-4H3
InChIKeyQTZSCZMRMARRNG-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.47
Rot. Bonds3

About 4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde

4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde (PubChem CID 83663000) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde
PubChem CID83663000
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde
SMILESCOc1ccc(C(C)(C)C)cc1-c1ccc(C=O)cc1
InChIInChI=1S/C18H20O2/c1-18(2,3)15-9-10-17(20-4)16(11-15)14-7-5-13(12-19)6-8-14/h5-12H,1-4H3
InChIKeyQTZSCZMRMARRNG-UHFFFAOYSA-N
XLogP4.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.47
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-methoxy-3-(4-methylphenyl)benzaldehyde
CID 82038833
4-(5-tert-butyl-2-methoxyphenyl)aniline
CID 83655480
3-(4-fluorophenyl)-4-methoxybenzaldehyde
CID 22391234
3-(3,5-ditert-butyl-4-hydroxyphenyl)-4-methoxybenzaldehyde
CID 86587844
3-(4-acetylphenyl)-4-methoxybenzaldehyde
CID 12987456
3-[3,5-bis(trifluoromethyl)phenyl]-4-methoxybenzaldehyde
CID 118071467
3-tert-butyl-4-methoxybenzaldehyde
CID 3774604
4-(2,3-difluoro-4-methoxyphenyl)benzaldehyde
CID 144969645
4-[10-(4-formylphenyl)-2,3,6,7-tetramethoxyanthracen-9-yl]benzaldehyde
CID 101191767
4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-methoxybenzaldehyde
CID 139492788
[3-(5-tert-butyl-2-methoxyphenyl)phenyl]methanol
CID 176513454
2-methoxy-5-[tris(3-formyl-4-methoxyphenyl)methyl]benzaldehyde
CID 56838314

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde?
The IUPAC name of 4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde (CID 83663000) is 4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde.
What is the SMILES notation for 4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde?
The canonical SMILES for 4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde is COc1ccc(C(C)(C)C)cc1-c1ccc(C=O)cc1.
What is the InChIKey of 4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde?
The InChIKey is QTZSCZMRMARRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-18(2,3)15-9-10-17(20-4)16(11-15)14-7-5-13(12-19)6-8-14/h5-12H,1-4H3.
What are the key properties of 4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde?
4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde has a molecular weight of 268.36 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methoxyphenyl)benzaldehyde is sourced from PubChem (CID 83663000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).