7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one

C15H22O4 — CID 10999984

IUPAC7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one
SMILESCOC(CCC(O)CO)CC(=O)Cc1ccccc1
InChIInChI=1S/C15H22O4/c1-19-15(8-7-13(17)11-16)10-14(18)9-12-5-3-2-4-6-12/h2-6,13,15-17H,7-11H2,1H3
InChIKeyHSNJWFNUAGMYEJ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.34
Rot. Bonds9

About 7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one

7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one (PubChem CID 10999984) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one.

Molecular Properties

Compound Name7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one
PubChem CID10999984
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one
SMILESCOC(CCC(O)CO)CC(=O)Cc1ccccc1
InChIInChI=1S/C15H22O4/c1-19-15(8-7-13(17)11-16)10-14(18)9-12-5-3-2-4-6-12/h2-6,13,15-17H,7-11H2,1H3
InChIKeyHSNJWFNUAGMYEJ-UHFFFAOYSA-N
XLogP1.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 91537381
4,5,5-trimethyl-1-phenylhexan-2-one
CID 63832749
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 159058422
1,3-diphenylpropan-2-one;ethane;methoxymethylbenzene
CID 167578330
2-benzyl-2-(3-hydroxy-2-methoxypropoxy)propanedioic acid
CID 146282837
1,3-diphenyl(213C)propan-2-one
CID 100945080
(2R)-2-methoxy-3-phenylpropan-1-ol
CID 12696531
(3R)-N-[(2R)-1,4-dihydroxy-4-methylpentan-2-yl]-3-hydroxy-5-oxo-6-phenylhexanamide
CID 100636603
ethyl (2S)-2-methyl-4-oxo-5-phenylpentanoate
CID 146342597
4-methoxy-1-phenylpent-4-en-2-one
CID 143549548

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one?
The IUPAC name of 7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one (CID 10999984) is 7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one.
What is the SMILES notation for 7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one?
The canonical SMILES for 7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one is COC(CCC(O)CO)CC(=O)Cc1ccccc1.
What is the InChIKey of 7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one?
The InChIKey is HSNJWFNUAGMYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-19-15(8-7-13(17)11-16)10-14(18)9-12-5-3-2-4-6-12/h2-6,13,15-17H,7-11H2,1H3.
What are the key properties of 7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one?
7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one has a molecular weight of 266.34 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxy-4-methoxy-1-phenyloctan-2-one is sourced from PubChem (CID 10999984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).