(4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone

C21H26O2 — CID 130471484

IUPAC(4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccccc2C(C)(C)C)c(O)c1
InChIInChI=1S/C21H26O2/c1-20(2,3)14-11-12-16(18(22)13-14)19(23)15-9-7-8-10-17(15)21(4,5)6/h7-13,22H,1-6H3
InChIKeyQTINCSKLKUYWLC-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.22
Rot. Bonds2

About (4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone

(4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone (PubChem CID 130471484) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone.

Molecular Properties

Compound Name(4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone
PubChem CID130471484
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name(4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccccc2C(C)(C)C)c(O)c1
InChIInChI=1S/C21H26O2/c1-20(2,3)14-11-12-16(18(22)13-14)19(23)15-9-7-8-10-17(15)21(4,5)6/h7-13,22H,1-6H3
InChIKeyQTINCSKLKUYWLC-UHFFFAOYSA-N
XLogP5.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone
CID 69457104
(2-tert-butylphenyl)-(2-chlorophenyl)methanone
CID 14145194
2-[2-hydroxy-4-(trifluoromethyl)benzoyl]benzoic acid
CID 171830769
2-tert-butyl-N'-(2-hydroxybenzoyl)benzohydrazide
CID 66844777
(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
CID 517837
1-(2-tert-butylphenyl)ethanone;1-(4-tert-butylphenyl)ethanone
CID 160581245
(3-bromo-2-fluorophenyl)-(2-tert-butylphenyl)methanone
CID 106647329
4-tert-butyl-2-(2-chlorobenzoyl)benzoic acid
CID 7730192
bis(2-tert-butylbenzoate);cadmium(2+)
CID 71436894
(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544982
1-(4-tert-butyl-2-hydroxyphenyl)-3-(4-hydroxyphenyl)propane-1,3-dione
CID 139685482
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone?
The IUPAC name of (4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone (CID 130471484) is (4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone.
What is the SMILES notation for (4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone?
The canonical SMILES for (4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone is CC(C)(C)c1ccc(C(=O)c2ccccc2C(C)(C)C)c(O)c1.
What is the InChIKey of (4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone?
The InChIKey is QTINCSKLKUYWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-20(2,3)14-11-12-16(18(22)13-14)19(23)15-9-7-8-10-17(15)21(4,5)6/h7-13,22H,1-6H3.
What are the key properties of (4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone?
(4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone has a molecular weight of 310.44 g/mol, XLogP of 5.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-hydroxyphenyl)-(2-tert-butylphenyl)methanone is sourced from PubChem (CID 130471484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).