(4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone

C17H18O4 — CID 69457104

IUPAC(4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C17H18O4/c1-17(2,3)10-4-6-12(14(19)8-10)16(21)13-7-5-11(18)9-15(13)20/h4-9,18-20H,1-3H3
InChIKeyFLWFYQDKYXKUBG-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.33
Rot. Bonds2

About (4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone

(4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone (PubChem CID 69457104) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone
PubChem CID69457104
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone
SMILESCC(C)(C)c1ccc(C(=O)c2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C17H18O4/c1-17(2,3)10-4-6-12(14(19)8-10)16(21)13-7-5-11(18)9-15(13)20/h4-9,18-20H,1-3H3
InChIKeyFLWFYQDKYXKUBG-UHFFFAOYSA-N
XLogP3.33
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone?
The IUPAC name of (4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone (CID 69457104) is (4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone.
What is the SMILES notation for (4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone?
The canonical SMILES for (4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone is CC(C)(C)c1ccc(C(=O)c2ccc(O)cc2O)c(O)c1.
What is the InChIKey of (4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone?
The InChIKey is FLWFYQDKYXKUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-17(2,3)10-4-6-12(14(19)8-10)16(21)13-7-5-11(18)9-15(13)20/h4-9,18-20H,1-3H3.
What are the key properties of (4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone?
(4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone has a molecular weight of 286.33 g/mol, XLogP of 3.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone is sourced from PubChem (CID 69457104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).