5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one

C19H30O2 — CID 122674449

IUPAC5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one
SMILESCc1cc(C)c(C(C)(C)CC(=O)C(C)C)c(OC(C)C)c1
InChIInChI=1S/C19H30O2/c1-12(2)16(20)11-19(7,8)18-15(6)9-14(5)10-17(18)21-13(3)4/h9-10,12-13H,11H2,1-8H3
InChIKeyQWCCQYCXQOSHCP-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.98
Rot. Bonds6

About 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one

5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one (PubChem CID 122674449) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one.

Molecular Properties

Compound Name5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one
PubChem CID122674449
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one
SMILESCc1cc(C)c(C(C)(C)CC(=O)C(C)C)c(OC(C)C)c1
InChIInChI=1S/C19H30O2/c1-12(2)16(20)11-19(7,8)18-15(6)9-14(5)10-17(18)21-13(3)4/h9-10,12-13H,11H2,1-8H3
InChIKeyQWCCQYCXQOSHCP-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,5-dimethyl-4-oxohexan-2-yl)-3,5-dimethylphenyl] dihydrogen phosphate
CID 140959277
[2-(2,5-dimethyl-4-oxohexan-2-yl)-3,5-dimethylphenyl] acetate;2-methylnonan-3-one
CID 156861229
4-(2-aminooxy-4,6-dimethylphenyl)-4-methylpentan-2-one
CID 163410720
3-[2-(3-aminopropanoyloxy)-4,6-dimethylphenyl]-3-methylbutanoic acid
CID 10501488
2-methylpropyl 3-(2-dihydroxyphosphanyloxy-4,6-dimethylphenyl)-3-methylbutanoate
CID 176979371
[2-(1-carboxy-2-methylpropan-2-yl)-3,5-dimethylphenoxy]carbonylmercury
CID 153400800
3-(2,4-dimethyl-6-phosphorosooxyphenyl)-3-methylbutanoic acid
CID 23575529
[3,5-dimethyl-2-(2-methyl-4-oxopentan-2-yl)phenyl] formate
CID 171526449
[2-(2,5-dimethyl-4-oxohexan-2-yl)-3-methylphenyl] dihydrogen phosphate
CID 90395423
2-[[3,5-dimethyl-2-(2-methyl-4-oxopentan-2-yl)phenoxy]carbonylamino]propanoic acid
CID 142512620
sodium 3-[2-(2,2-dimethylpropanoyloxy)-4,6-dimethylphenyl]-3-methylbutanethioate
CID 159986070
4-[2,4-dimethyl-6-(2-methylprop-2-enoxy)phenyl]-4-methylpentan-2-one
CID 153346340

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one?
The IUPAC name of 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one (CID 122674449) is 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one.
What is the SMILES notation for 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one?
The canonical SMILES for 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one is Cc1cc(C)c(C(C)(C)CC(=O)C(C)C)c(OC(C)C)c1.
What is the InChIKey of 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one?
The InChIKey is QWCCQYCXQOSHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-12(2)16(20)11-19(7,8)18-15(6)9-14(5)10-17(18)21-13(3)4/h9-10,12-13H,11H2,1-8H3.
What are the key properties of 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one?
5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one has a molecular weight of 290.45 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethyl-6-propan-2-yloxyphenyl)-2,5-dimethylhexan-3-one is sourced from PubChem (CID 122674449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).