(3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone

C19H22O2 — CID 86189379

IUPAC(3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(O)c(C(C)(C)C)c2)c(C)c1
InChIInChI=1S/C19H22O2/c1-12-6-8-15(13(2)10-12)18(21)14-7-9-17(20)16(11-14)19(3,4)5/h6-11,20H,1-5H3
InChIKeyCTEIGUSOSJHQQU-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.54
Rot. Bonds2

About (3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone

(3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone (PubChem CID 86189379) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone
PubChem CID86189379
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(O)c(C(C)(C)C)c2)c(C)c1
InChIInChI=1S/C19H22O2/c1-12-6-8-15(13(2)10-12)18(21)14-7-9-17(20)16(11-14)19(3,4)5/h6-11,20H,1-5H3
InChIKeyCTEIGUSOSJHQQU-UHFFFAOYSA-N
XLogP4.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-tert-butylphenyl)-(2,4-dimethylphenyl)methanone
CID 43337773
bis(3-tert-butyl-4-hydroxyphenyl)methanone
CID 57066598
2-(3-tert-butyl-4-hydroxybenzoyl)benzoic acid
CID 139838866
(4-bromo-3-methylphenyl)-(2,4-dimethylphenyl)methanone
CID 113396668
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891
(2-tert-butyl-5-methylphenyl)-phenylmethanone
CID 58452150
bis(2-tert-butyl-4-methylphenol);dichlorozirconium
CID 21185304
(2-bromo-5-methylphenyl)-(4-tert-butylphenyl)methanone
CID 81110791
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
tert-butyl 3-tert-butyl-4-hydroxybenzoate
CID 86036715

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone?
The IUPAC name of (3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone (CID 86189379) is (3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for (3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone?
The canonical SMILES for (3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)c2ccc(O)c(C(C)(C)C)c2)c(C)c1.
What is the InChIKey of (3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone?
The InChIKey is CTEIGUSOSJHQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-12-6-8-15(13(2)10-12)18(21)14-7-9-17(20)16(11-14)19(3,4)5/h6-11,20H,1-5H3.
What are the key properties of (3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone?
(3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone has a molecular weight of 282.38 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-4-hydroxyphenyl)-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 86189379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).