4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde

C24H25NO3 — CID 59309481

IUPAC4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde
SMILESCOc1cc(C=O)c(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C24H25NO3/c1-24(2,3)21-14-20(18(15-26)13-22(21)27-4)19-11-8-12-25-23(19)28-16-17-9-6-5-7-10-17/h5-15H,16H2,1-4H3
InChIKeyKZLJKYZNDZEPJP-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.45
Rot. Bonds6

About 4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde

4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde (PubChem CID 59309481) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde
PubChem CID59309481
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Name4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde
SMILESCOc1cc(C=O)c(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C24H25NO3/c1-24(2,3)21-14-20(18(15-26)13-22(21)27-4)19-11-8-12-25-23(19)28-16-17-9-6-5-7-10-17/h5-15H,16H2,1-4H3
InChIKeyKZLJKYZNDZEPJP-UHFFFAOYSA-N
XLogP5.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]acetamide
CID 67378993
5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde
CID 91511347
3-tert-butyl-2-phenylmethoxypyridine
CID 157173376
tert-butyl N-[(1S,3S)-3-[[4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)phenyl]methylcarbamoyl]cyclopentyl]carbamate
CID 68593472
2-methoxy-4-methyl-5-phenylmethoxybenzaldehyde
CID 71394668
4-tert-butyl-5-methoxy-2-methylbenzaldehyde
CID 105459168
2-bromo-4-phenylmethoxybenzaldehyde
CID 11173819
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
4-[5-(4-formyl-5-nitro-2-phenylmethoxyphenoxy)pentoxy]-5-methoxy-2-nitrobenzaldehyde
CID 90421178
2-[[5,11,17,23-tetratert-butyl-26-phenylmethoxy-27,28-bis(pyridin-2-ylmethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxymethyl]pyridine
CID 10351040
2-methoxy-4,6-bis(phenylmethoxy)benzaldehyde
CID 10980954

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde?
The IUPAC name of 4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde (CID 59309481) is 4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde?
The canonical SMILES for 4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde is COc1cc(C=O)c(-c2cccnc2OCc2ccccc2)cc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde?
The InChIKey is KZLJKYZNDZEPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO3/c1-24(2,3)21-14-20(18(15-26)13-22(21)27-4)19-11-8-12-25-23(19)28-16-17-9-6-5-7-10-17/h5-15H,16H2,1-4H3.
What are the key properties of 4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde?
4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde has a molecular weight of 375.47 g/mol, XLogP of 5.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 59309481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).