5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde

C20H24O2 — CID 86722291

IUPAC5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
SMILESCC(C)(C)c1cc(C=O)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C20H24O2/c1-19(2,3)16-11-14(13-21)18(22)17(12-16)20(4,5)15-9-7-6-8-10-15/h6-13,22H,1-5H3
InChIKeyYJOFSHNZDVLZPA-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.83
Rot. Bonds3

About 5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde

5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde (PubChem CID 86722291) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde.

Molecular Properties

Compound Name5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
PubChem CID86722291
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde
SMILESCC(C)(C)c1cc(C=O)c(O)c(C(C)(C)c2ccccc2)c1
InChIInChI=1S/C20H24O2/c1-19(2,3)16-11-14(13-21)18(22)17(12-16)20(4,5)15-9-7-6-8-10-15/h6-13,22H,1-5H3
InChIKeyYJOFSHNZDVLZPA-UHFFFAOYSA-N
XLogP4.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-tert-butyl-2-hydroxy-5-phenylbenzaldehyde
CID 15531554
4-tert-butyl-2-[[(1R,2R)-2-[[5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)phenyl]methylideneamino]cyclohexyl]iminomethyl]-6-(2-phenylpropan-2-yl)phenol;cobalt(3+);triacetate
CID 173159985
2-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]benzaldehyde
CID 135980172
5-tert-butyl-2-hydroxy-3-(2,4,6-tritert-butylphenyl)benzaldehyde
CID 102018966
2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid
CID 21413982
2-methyl-3-(2-phenylpropan-2-yl)benzaldehyde
CID 141223238
2-[2-hydroxy-3,5-bis(2-phenylpropan-2-yl)phenyl]sulfonyl-4,6-bis(2-phenylpropan-2-yl)phenol
CID 71427223
2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 136760092
2-[[2-[[3,5-bis(2-phenylpropan-2-yl)phenyl]methylideneamino]phenyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol;methanol
CID 171500786
2,6-dihydroxy-3,5-bis(2-phenylpropan-2-yl)benzenesulfonic acid
CID 57148231
2-(iodoiminomethyl)-4-methyl-6-(2-phenylpropan-2-yl)phenol
CID 173494309
2-hydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid;zinc;hydrate
CID 67943288

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde?
The IUPAC name of 5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde (CID 86722291) is 5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde.
What is the SMILES notation for 5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde?
The canonical SMILES for 5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde is CC(C)(C)c1cc(C=O)c(O)c(C(C)(C)c2ccccc2)c1.
What is the InChIKey of 5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde?
The InChIKey is YJOFSHNZDVLZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-19(2,3)16-11-14(13-21)18(22)17(12-16)20(4,5)15-9-7-6-8-10-15/h6-13,22H,1-5H3.
What are the key properties of 5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde?
5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde has a molecular weight of 296.41 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde is sourced from PubChem (CID 86722291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).