bis(3-tert-butyl-4-hydroxyphenyl)methanone

C21H26O3 — CID 57066598

IUPACbis(3-tert-butyl-4-hydroxyphenyl)methanone
SMILESCC(C)(C)c1cc(C(=O)c2ccc(O)c(C(C)(C)C)c2)ccc1O
InChIInChI=1S/C21H26O3/c1-20(2,3)15-11-13(7-9-17(15)22)19(24)14-8-10-18(23)16(12-14)21(4,5)6/h7-12,22-23H,1-6H3
InChIKeyPHYNAEAKUOUAKT-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.92
Rot. Bonds2

About bis(3-tert-butyl-4-hydroxyphenyl)methanone

bis(3-tert-butyl-4-hydroxyphenyl)methanone (PubChem CID 57066598) has the molecular formula C21H26O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is bis(3-tert-butyl-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Namebis(3-tert-butyl-4-hydroxyphenyl)methanone
PubChem CID57066598
Molecular FormulaC21H26O3
Molecular Weight326.44 g/mol
Exact Mass326.19
IUPAC Namebis(3-tert-butyl-4-hydroxyphenyl)methanone
SMILESCC(C)(C)c1cc(C(=O)c2ccc(O)c(C(C)(C)C)c2)ccc1O
InChIInChI=1S/C21H26O3/c1-20(2,3)15-11-13(7-9-17(15)22)19(24)14-8-10-18(23)16(12-14)21(4,5)6/h7-12,22-23H,1-6H3
InChIKeyPHYNAEAKUOUAKT-UHFFFAOYSA-N
XLogP4.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone
CID 86189379
2-(3-tert-butyl-4-hydroxybenzoyl)benzoic acid
CID 139838866
tert-butyl 3-tert-butyl-4-hydroxybenzoate
CID 86036715
methyl 4-(3,5-ditert-butyl-4-hydroxybenzoyl)benzoate
CID 14096576
(4-bromophenyl)-(3,4-dihydroxyphenyl)methanone
CID 23509276
[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxyphenyl]-(4-hydroxyphenyl)methanone
CID 126487220
2-tert-butyl-4-[2-(3-tert-butyl-4-hydroxyphenyl)prop-1-enyl]phenol
CID 139786301
(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 19890098
ethyl 4-(3-tert-butyl-4-hydroxybenzoyl)piperazine-1-carboxylate
CID 59382289
[3-[3-(3,4-dihydroxybenzoyl)-4-hydroxybenzoyl]-4-hydroxyphenyl]-(3,4-dihydroxyphenyl)methanone
CID 172840396
2-tert-butyl-4-(3-tert-butyl-4-hydroxyphenoxy)phenol
CID 18178010
(4-benzoyl-2-tert-butylphenyl) 2-hydroxyprop-2-enoate
CID 122460732

Frequently Asked Questions

What is the IUPAC name of bis(3-tert-butyl-4-hydroxyphenyl)methanone?
The IUPAC name of bis(3-tert-butyl-4-hydroxyphenyl)methanone (CID 57066598) is bis(3-tert-butyl-4-hydroxyphenyl)methanone.
What is the SMILES notation for bis(3-tert-butyl-4-hydroxyphenyl)methanone?
The canonical SMILES for bis(3-tert-butyl-4-hydroxyphenyl)methanone is CC(C)(C)c1cc(C(=O)c2ccc(O)c(C(C)(C)C)c2)ccc1O.
What is the InChIKey of bis(3-tert-butyl-4-hydroxyphenyl)methanone?
The InChIKey is PHYNAEAKUOUAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3/c1-20(2,3)15-11-13(7-9-17(15)22)19(24)14-8-10-18(23)16(12-14)21(4,5)6/h7-12,22-23H,1-6H3.
What are the key properties of bis(3-tert-butyl-4-hydroxyphenyl)methanone?
bis(3-tert-butyl-4-hydroxyphenyl)methanone has a molecular weight of 326.44 g/mol, XLogP of 4.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-tert-butyl-4-hydroxyphenyl)methanone is sourced from PubChem (CID 57066598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).