4-(3,4,5-trimethoxyphenoxy)pentan-2-one

C14H20O5 — CID 113408873

IUPAC4-(3,4,5-trimethoxyphenoxy)pentan-2-one
SMILESCOc1cc(OC(C)CC(C)=O)cc(OC)c1OC
InChIInChI=1S/C14H20O5/c1-9(15)6-10(2)19-11-7-12(16-3)14(18-5)13(8-11)17-4/h7-8,10H,6H2,1-5H3
InChIKeyKGUOPDMKOLOTTC-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.46
Rot. Bonds7

About 4-(3,4,5-trimethoxyphenoxy)pentan-2-one

4-(3,4,5-trimethoxyphenoxy)pentan-2-one (PubChem CID 113408873) has the molecular formula C14H20O5 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-(3,4,5-trimethoxyphenoxy)pentan-2-one.

Molecular Properties

Compound Name4-(3,4,5-trimethoxyphenoxy)pentan-2-one
PubChem CID113408873
Molecular FormulaC14H20O5
Molecular Weight268.31 g/mol
Exact Mass268.13
IUPAC Name4-(3,4,5-trimethoxyphenoxy)pentan-2-one
SMILESCOc1cc(OC(C)CC(C)=O)cc(OC)c1OC
InChIInChI=1S/C14H20O5/c1-9(15)6-10(2)19-11-7-12(16-3)14(18-5)13(8-11)17-4/h7-8,10H,6H2,1-5H3
InChIKeyKGUOPDMKOLOTTC-UHFFFAOYSA-N
XLogP2.46
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,5-difluorophenoxy)pentan-2-one
CID 64697141
methyl (2R)-2-(3,4,5-trimethoxyphenoxy)propanoate
CID 103338197
4-amino-4-(3,4,5-trimethoxyphenyl)butan-2-one
CID 116940614
4-chloro-4-(3,4,5-trimethoxyphenyl)butan-2-one
CID 67729285
4-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 64697542
4-(3,4-difluorophenoxy)pentan-2-one
CID 64698357
4-(4-chlorophenoxy)pentan-2-one
CID 64698945
3-methyl-1-(3,4,5-trimethoxyphenyl)butan-1-one
CID 93191215
(3,4,5-trimethoxyphenyl) 2-methylbutanoate
CID 91873545
4-(2-bromophenoxy)pentan-2-one
CID 64698957
4-(4-ethylphenoxy)pentan-2-one
CID 64698154
5-[1-(2-chlorophenoxy)propan-2-yloxy]-1,2,3-trimethoxybenzene
CID 91335620

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,5-trimethoxyphenoxy)pentan-2-one?
The IUPAC name of 4-(3,4,5-trimethoxyphenoxy)pentan-2-one (CID 113408873) is 4-(3,4,5-trimethoxyphenoxy)pentan-2-one.
What is the SMILES notation for 4-(3,4,5-trimethoxyphenoxy)pentan-2-one?
The canonical SMILES for 4-(3,4,5-trimethoxyphenoxy)pentan-2-one is COc1cc(OC(C)CC(C)=O)cc(OC)c1OC.
What is the InChIKey of 4-(3,4,5-trimethoxyphenoxy)pentan-2-one?
The InChIKey is KGUOPDMKOLOTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O5/c1-9(15)6-10(2)19-11-7-12(16-3)14(18-5)13(8-11)17-4/h7-8,10H,6H2,1-5H3.
What are the key properties of 4-(3,4,5-trimethoxyphenoxy)pentan-2-one?
4-(3,4,5-trimethoxyphenoxy)pentan-2-one has a molecular weight of 268.31 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5-trimethoxyphenoxy)pentan-2-one is sourced from PubChem (CID 113408873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).