1,4-dimethoxybenzene;octan-3-one

C16H26O3 — CID 174621330

IUPAC1,4-dimethoxybenzene;octan-3-one
SMILESCCCCCC(=O)CC.COc1ccc(OC)cc1
InChIInChI=1S/C8H10O2.C8H16O/c1-9-7-3-5-8(10-2)6-4-7;1-3-5-6-7-8(9)4-2/h3-6H,1-2H3;3-7H2,1-2H3
InChIKeyUWORVIOGNVERQT-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.25
Rot. Bonds7

About 1,4-dimethoxybenzene;octan-3-one

1,4-dimethoxybenzene;octan-3-one (PubChem CID 174621330) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1,4-dimethoxybenzene;octan-3-one.

Molecular Properties

Compound Name1,4-dimethoxybenzene;octan-3-one
PubChem CID174621330
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name1,4-dimethoxybenzene;octan-3-one
SMILESCCCCCC(=O)CC.COc1ccc(OC)cc1
InChIInChI=1S/C8H10O2.C8H16O/c1-9-7-3-5-8(10-2)6-4-7;1-3-5-6-7-8(9)4-2/h3-6H,1-2H3;3-7H2,1-2H3
InChIKeyUWORVIOGNVERQT-UHFFFAOYSA-N
XLogP4.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxyphenyl)heptadecan-3-one
CID 91440727
1-(4-methoxyphenyl)nonan-3-one
CID 114966639
N-(4-methoxyphenyl)-6-oxooctanamide
CID 15388979
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
1-(3,5-dimethoxyphenyl)heptadecan-2-one
CID 10916163
6-(4-methoxyphenyl)hexadecan-8-one
CID 132549472
1-(3-methoxyphenyl)heptan-2-one
CID 61056670
decan-3-one;hydrochloride
CID 22446547
tetracosane-3,13-dione
CID 143607999
2-(4-methoxyphenyl)octan-3-one
CID 71426807
anisole;hexadecan-2-one
CID 167511071

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxybenzene;octan-3-one?
The IUPAC name of 1,4-dimethoxybenzene;octan-3-one (CID 174621330) is 1,4-dimethoxybenzene;octan-3-one.
What is the SMILES notation for 1,4-dimethoxybenzene;octan-3-one?
The canonical SMILES for 1,4-dimethoxybenzene;octan-3-one is CCCCCC(=O)CC.COc1ccc(OC)cc1.
What is the InChIKey of 1,4-dimethoxybenzene;octan-3-one?
The InChIKey is UWORVIOGNVERQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2.C8H16O/c1-9-7-3-5-8(10-2)6-4-7;1-3-5-6-7-8(9)4-2/h3-6H,1-2H3;3-7H2,1-2H3.
What are the key properties of 1,4-dimethoxybenzene;octan-3-one?
1,4-dimethoxybenzene;octan-3-one has a molecular weight of 266.38 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxybenzene;octan-3-one is sourced from PubChem (CID 174621330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).