ethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one

C19H32O5 — CID 175608112

IUPACethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one
SMILESCCCCCC(O)CC(=O)CCc1ccc(OC)c(O)c1.CCO
InChIInChI=1S/C17H26O4.C2H6O/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13;1-2-3/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3;3H,2H2,1H3
InChIKeyFGNMGMXGGOUIET-UHFFFAOYSA-N
MW340.46 g/mol
LogP3.23
Rot. Bonds10

About ethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one

ethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one (PubChem CID 175608112) has the molecular formula C19H32O5 and a molecular weight of 340.46 g/mol. Its IUPAC name is ethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one.

Molecular Properties

Compound Nameethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one
PubChem CID175608112
Molecular FormulaC19H32O5
Molecular Weight340.46 g/mol
Exact Mass340.22
IUPAC Nameethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one
SMILESCCCCCC(O)CC(=O)CCc1ccc(OC)c(O)c1.CCO
InChIInChI=1S/C17H26O4.C2H6O/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13;1-2-3/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3;3H,2H2,1H3
InChIKeyFGNMGMXGGOUIET-UHFFFAOYSA-N
XLogP3.23
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one;(5S)-5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
CID 167592723
1-(3,4-dihydroxyphenyl)-5-hydroxytetradecan-3-one
CID 14551432
(5S)-1-(3,4-dimethoxyphenyl)-5-hydroxy-12-(2-pentylphenyl)dodecan-3-one
CID 162887606
(3R,5S)-1-(3-hydroxy-4-methoxyphenyl)dodecane-3,5-diol
CID 163030522
(5S)-5-hydroxy-1-[3-[(6-hydroxynaphthalen-2-yl)methoxy]-4-methoxyphenyl]-12-(2-pentylphenyl)dodecan-3-one
CID 163102221
1-(4-hydroxy-3-methoxyphenyl)-5-methoxydodecan-3-one
CID 86067818
1-[3-[(8-ethyl-6-hydroxynaphthalen-2-yl)methoxy]-4-methoxyphenyl]-5-hydroxyundecan-3-one
CID 162959059
1,7-bis(3-hydroxy-4-methoxyphenyl)heptane-3,5-dione
CID 22501459
1-(3,4-dihydroxyphenyl)-5-methoxydecan-3-one
CID 24871717
(3R,7R)-1-(3,4-dihydroxyphenyl)-3-hydroxy-7-(4-hydroxy-3-methoxyphenyl)dodecan-5-one
CID 162837226
(5S,10S)-1-(3,4-dimethoxyphenyl)-5-hydroxy-10-(hydroxymethyl)-12-phenyldodecan-3-one
CID 162896568
(5S)-5-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)heptan-3-one
CID 162980287

Frequently Asked Questions

What is the IUPAC name of ethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one?
The IUPAC name of ethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one (CID 175608112) is ethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one.
What is the SMILES notation for ethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one?
The canonical SMILES for ethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one is CCCCCC(O)CC(=O)CCc1ccc(OC)c(O)c1.CCO.
What is the InChIKey of ethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one?
The InChIKey is FGNMGMXGGOUIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4.C2H6O/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-17(21-2)16(20)11-13;1-2-3/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one?
ethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one has a molecular weight of 340.46 g/mol, XLogP of 3.23, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;5-hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one is sourced from PubChem (CID 175608112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).