(4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone

C25H34O2 — CID 102497436

IUPAC(4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1
InChIInChI=1S/C25H34O2/c1-23(2,3)17-12-10-16(11-13-17)21(26)19-14-18(24(4,5)6)15-20(22(19)27)25(7,8)9/h10-15,27H,1-9H3
InChIKeyXXWAZNLAKJNVHC-UHFFFAOYSA-N
MW366.55 g/mol
LogP6.52
Rot. Bonds2

About (4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone

(4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone (PubChem CID 102497436) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is (4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone
PubChem CID102497436
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name(4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1
InChIInChI=1S/C25H34O2/c1-23(2,3)17-12-10-16(11-13-17)21(26)19-14-18(24(4,5)6)15-20(22(19)27)25(7,8)9/h10-15,27H,1-9H3
InChIKeyXXWAZNLAKJNVHC-UHFFFAOYSA-N
XLogP6.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
CID 88921612
tris(3,5-ditert-butyl-2-hydroxybenzoic acid);iron
CID 164898882
4-tert-butyl-2-(4-carboxybenzoyl)benzoic acid
CID 919103
(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
3,5-ditert-butyl-2-hydroxybenzoic acid;formamide;titanium
CID 174960919
(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
CID 517837
2,4-ditert-butyl-6-[(4-tert-butylphenyl)methyl]phenol
CID 11792333
bis(3-tert-butyl-4-hydroxyphenyl)methanone
CID 57066598
4-bromo-N-(3,5-ditert-butyl-2-hydroxyphenyl)benzamide
CID 56698589
[3-[[3,5-bis(4-tert-butylbenzoyl)phenyl]methyl]-5-(4-tert-butylbenzoyl)phenyl]-(4-tert-butylphenyl)methanone
CID 58299012
[4-(4-tert-butylbenzoyl)phenyl]-(4-methylphenyl)methanone
CID 145339056
methyl 3-chloro-4-[(3,5-ditert-butyl-2-hydroxybenzoyl)amino]benzoate
CID 86274849

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone?
The IUPAC name of (4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone (CID 102497436) is (4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone.
What is the SMILES notation for (4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone?
The canonical SMILES for (4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone is CC(C)(C)c1ccc(C(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)cc1.
What is the InChIKey of (4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone?
The InChIKey is XXWAZNLAKJNVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-23(2,3)17-12-10-16(11-13-17)21(26)19-14-18(24(4,5)6)15-20(22(19)27)25(7,8)9/h10-15,27H,1-9H3.
What are the key properties of (4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone?
(4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone has a molecular weight of 366.55 g/mol, XLogP of 6.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone is sourced from PubChem (CID 102497436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).