(2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone

C21H26O4 — CID 91613100

IUPAC(2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone
SMILESCC(C)COc1ccc(C(=O)c2ccc(O)cc2O)c(CC(C)C)c1
InChIInChI=1S/C21H26O4/c1-13(2)9-15-10-17(25-12-14(3)4)6-8-18(15)21(24)19-7-5-16(22)11-20(19)23/h5-8,10-11,13-14,22-23H,9,12H2,1-4H3
InChIKeyUTCXKGWFMJXMRZ-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.56
Rot. Bonds7

About (2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone

(2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone (PubChem CID 91613100) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone
PubChem CID91613100
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name(2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone
SMILESCC(C)COc1ccc(C(=O)c2ccc(O)cc2O)c(CC(C)C)c1
InChIInChI=1S/C21H26O4/c1-13(2)9-15-10-17(25-12-14(3)4)6-8-18(15)21(24)19-7-5-16(22)11-20(19)23/h5-8,10-11,13-14,22-23H,9,12H2,1-4H3
InChIKeyUTCXKGWFMJXMRZ-UHFFFAOYSA-N
XLogP4.56
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone
CID 141021495
2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
bis[4-(2,3-dihydroxypropoxy)-2-hydroxyphenyl]methanone
CID 86172123
bis(4-butoxy-2-hydroxyphenyl)methanone;bis(2-hydroxy-4-propan-2-yloxyphenyl)methanone
CID 162086592
(E)-1-[2-hydroxy-4-(2-methylpropoxy)phenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 139078667
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
(2,4-dihydroxyphenyl)-[2-hydroxy-4-[2-[2-(2-methylprop-1-enoxy)ethoxy]ethoxy]phenyl]methanone
CID 150462911
4-hydroxy-2-(2-methylpropyl)benzoic acid;2-methylpropyl 4-hydroxybenzoate
CID 159650836
4-(2-methylpropoxy)-2-propan-2-ylbenzoic acid
CID 155925871
2-amino-1-[2-hydroxy-4-(2-hydroxypropoxy)phenyl]ethanone
CID 170860723
bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 162233219

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone (CID 91613100) is (2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone is CC(C)COc1ccc(C(=O)c2ccc(O)cc2O)c(CC(C)C)c1.
What is the InChIKey of (2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone?
The InChIKey is UTCXKGWFMJXMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-13(2)9-15-10-17(25-12-14(3)4)6-8-18(15)21(24)19-7-5-16(22)11-20(19)23/h5-8,10-11,13-14,22-23H,9,12H2,1-4H3.
What are the key properties of (2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone?
(2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone has a molecular weight of 342.44 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 91613100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).