6-(2-hydroxyphenyl)-2-methylhexan-3-one

C13H18O2 — CID 83930520

IUPAC6-(2-hydroxyphenyl)-2-methylhexan-3-one
SMILESCC(C)C(=O)CCCc1ccccc1O
InChIInChI=1S/C13H18O2/c1-10(2)12(14)9-5-7-11-6-3-4-8-13(11)15/h3-4,6,8,10,15H,5,7,9H2,1-2H3
InChIKeyPDZNJJLQLYJCIJ-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.94
Rot. Bonds5

About 6-(2-hydroxyphenyl)-2-methylhexan-3-one

6-(2-hydroxyphenyl)-2-methylhexan-3-one (PubChem CID 83930520) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)-2-methylhexan-3-one.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)-2-methylhexan-3-one
PubChem CID83930520
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name6-(2-hydroxyphenyl)-2-methylhexan-3-one
SMILESCC(C)C(=O)CCCc1ccccc1O
InChIInChI=1S/C13H18O2/c1-10(2)12(14)9-5-7-11-6-3-4-8-13(11)15/h3-4,6,8,10,15H,5,7,9H2,1-2H3
InChIKeyPDZNJJLQLYJCIJ-UHFFFAOYSA-N
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[2-[2-(chloromethyl)prop-2-enyl]phenyl]-2-methylhexan-3-one
CID 11277441
2-methyl-7-phenylheptan-3-one
CID 13129845
ethyl 4-(2-hydroxyphenyl)butanoate
CID 22461645
2-methyl-9-phenylnonan-3-one
CID 58366233
16-(2-hydroxyphenyl)hexadecanoic acid
CID 118366934
6-(2,4-dimethylphenyl)-2-methylhexan-3-one
CID 83928031
carbonic acid;bis(2-nonylphenol)
CID 69221300
1-(2-chlorophenyl)-4-methylpentan-3-one
CID 43370393
6-(3,4-dimethylphenyl)-2-methylhexan-3-one
CID 64504298
2-dodecylphenol
CID 160834917
2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43241188
formaldehyde;2-nonylphenol;2-octylphenol
CID 175344349

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)-2-methylhexan-3-one?
The IUPAC name of 6-(2-hydroxyphenyl)-2-methylhexan-3-one (CID 83930520) is 6-(2-hydroxyphenyl)-2-methylhexan-3-one.
What is the SMILES notation for 6-(2-hydroxyphenyl)-2-methylhexan-3-one?
The canonical SMILES for 6-(2-hydroxyphenyl)-2-methylhexan-3-one is CC(C)C(=O)CCCc1ccccc1O.
What is the InChIKey of 6-(2-hydroxyphenyl)-2-methylhexan-3-one?
The InChIKey is PDZNJJLQLYJCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(2)12(14)9-5-7-11-6-3-4-8-13(11)15/h3-4,6,8,10,15H,5,7,9H2,1-2H3.
What are the key properties of 6-(2-hydroxyphenyl)-2-methylhexan-3-one?
6-(2-hydroxyphenyl)-2-methylhexan-3-one has a molecular weight of 206.28 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)-2-methylhexan-3-one is sourced from PubChem (CID 83930520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).