[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone

C21H26O4 — CID 141021495

IUPAC[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone
SMILESCC(C)COc1ccc(C(=O)c2ccc(OCC(C)C)cc2O)cc1
InChIInChI=1S/C21H26O4/c1-14(2)12-24-17-7-5-16(6-8-17)21(23)19-10-9-18(11-20(19)22)25-13-15(3)4/h5-11,14-15,22H,12-13H2,1-4H3
InChIKeyICEVNEFPHVGOCQ-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.69
Rot. Bonds8

About [2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone

[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone (PubChem CID 141021495) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is [2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone.

Molecular Properties

Compound Name[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone
PubChem CID141021495
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone
SMILESCC(C)COc1ccc(C(=O)c2ccc(OCC(C)C)cc2O)cc1
InChIInChI=1S/C21H26O4/c1-14(2)12-24-17-7-5-16(6-8-17)21(23)19-10-9-18(11-20(19)22)25-13-15(3)4/h5-11,14-15,22H,12-13H2,1-4H3
InChIKeyICEVNEFPHVGOCQ-UHFFFAOYSA-N
XLogP4.69
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-4-(2-methylpropoxy)benzoic acid
CID 154092894
(2,4-dihydroxyphenyl)-[4-(2-methylpropoxy)-2-(2-methylpropyl)phenyl]methanone
CID 91613100
(2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone
CID 135325809
1-[2-methyl-4-(2-methylpropoxy)phenyl]ethanone
CID 20716286
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
4-(2-methylpropoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 4937273
(4-tert-butylphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 151405444
1-[4-(2-methylpropoxy)phenyl]ethanone
CID 2063678
[3-(4-benzoyl-3-hydroxyphenoxy)-2-methylpropyl] 2-methylprop-2-enoate
CID 175051877
2-[3-hydroxy-4-(4-methoxybenzoyl)phenoxy]acetaldehyde
CID 54363889
[4-(2-ethylhexoxy)-2-hydroxyphenyl]-phenylmethanone
CID 17353

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone?
The IUPAC name of [2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone (CID 141021495) is [2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone.
What is the SMILES notation for [2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone?
The canonical SMILES for [2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone is CC(C)COc1ccc(C(=O)c2ccc(OCC(C)C)cc2O)cc1.
What is the InChIKey of [2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone?
The InChIKey is ICEVNEFPHVGOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-14(2)12-24-17-7-5-16(6-8-17)21(23)19-10-9-18(11-20(19)22)25-13-15(3)4/h5-11,14-15,22H,12-13H2,1-4H3.
What are the key properties of [2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone?
[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone has a molecular weight of 342.44 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone is sourced from PubChem (CID 141021495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).