bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane

C24H34O4 — CID 91487886

IUPACbis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane
SMILESCCC(=O)c1ccccc1O.CCC(=O)c1ccccc1O.CCC(C)CC
InChIInChI=1S/2C9H10O2.C6H14/c2*1-2-8(10)7-5-3-4-6-9(7)11;1-4-6(3)5-2/h2*3-6,11H,2H2,1H3;6H,4-5H2,1-3H3
InChIKeySJOQELUBSDDZMR-UHFFFAOYSA-N
MW386.53 g/mol
LogP6.41
Rot. Bonds6

About bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane

bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane (PubChem CID 91487886) has the molecular formula C24H34O4 and a molecular weight of 386.53 g/mol. Its IUPAC name is bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane.

Molecular Properties

Compound Namebis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane
PubChem CID91487886
Molecular FormulaC24H34O4
Molecular Weight386.53 g/mol
Exact Mass386.25
IUPAC Namebis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane
SMILESCCC(=O)c1ccccc1O.CCC(=O)c1ccccc1O.CCC(C)CC
InChIInChI=1S/2C9H10O2.C6H14/c2*1-2-8(10)7-5-3-4-6-9(7)11;1-4-6(3)5-2/h2*3-6,11H,2H2,1H3;6H,4-5H2,1-3H3
InChIKeySJOQELUBSDDZMR-UHFFFAOYSA-N
XLogP6.41
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.53
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3624355
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CID 68951080
3-methyl-1-(2-methylphenyl)pentan-1-one
CID 62620781
1-(2-phosphanylphenyl)propan-1-one
CID 143391077
1-[2-(methyldisulfanyl)phenyl]propan-1-one
CID 174805694
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
CID 140991954
2-(2-propanoylphenyl)benzoic acid
CID 15194783
2-[[3-(2-hydroxyphenyl)-3-oxopropyl]amino]propanoic acid
CID 134090316
1-(3-hydroxy-2-nitrophenyl)propan-1-one
CID 21450264
N-(2-ethylbutyl)-2-hydroxybenzamide
CID 115613562
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535

Frequently Asked Questions

What is the IUPAC name of bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane?
The IUPAC name of bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane (CID 91487886) is bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane.
What is the SMILES notation for bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane?
The canonical SMILES for bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane is CCC(=O)c1ccccc1O.CCC(=O)c1ccccc1O.CCC(C)CC.
What is the InChIKey of bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane?
The InChIKey is SJOQELUBSDDZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10O2.C6H14/c2*1-2-8(10)7-5-3-4-6-9(7)11;1-4-6(3)5-2/h2*3-6,11H,2H2,1H3;6H,4-5H2,1-3H3.
What are the key properties of bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane?
bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane has a molecular weight of 386.53 g/mol, XLogP of 6.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(2-hydroxyphenyl)propan-1-one);3-methylpentane is sourced from PubChem (CID 91487886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).