2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one

C18H28O3 — CID 79304001

IUPAC2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one
SMILESCCCOc1ccc(C(C)C(=O)C(C)C)cc1OCCC
InChIInChI=1S/C18H28O3/c1-6-10-20-16-9-8-15(12-17(16)21-11-7-2)14(5)18(19)13(3)4/h8-9,12-14H,6-7,10-11H2,1-5H3
InChIKeyOXIGKKJGPUZJJK-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.59
Rot. Bonds9

About 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one

2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one (PubChem CID 79304001) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one.

Molecular Properties

Compound Name2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one
PubChem CID79304001
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one
SMILESCCCOc1ccc(C(C)C(=O)C(C)C)cc1OCCC
InChIInChI=1S/C18H28O3/c1-6-10-20-16-9-8-15(12-17(16)21-11-7-2)14(5)18(19)13(3)4/h8-9,12-14H,6-7,10-11H2,1-5H3
InChIKeyOXIGKKJGPUZJJK-UHFFFAOYSA-N
XLogP4.59
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dipropoxyphenyl)pentan-3-ol
CID 79298154
methyl 2-(3,4-diethoxyphenyl)propanoate
CID 55071930
4-(1-bromo-2-methylpropyl)-1,2-dipropoxybenzene
CID 63440244
2-bromo-1-(3,4-dipropoxyphenyl)butan-1-one
CID 63385990
2-(5-propan-2-yl-2-propoxyphenyl)acetic acid
CID 82054018
6-(3,4-dipropoxyphenyl)octan-3-one
CID 83931984
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-amine
CID 79304005
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
propan-2-yl 3,4-dipropoxybenzoate
CID 82550237
3-(3,4-dipropoxyphenyl)-N-methylbutan-2-amine
CID 66436778
(2R)-2-[1-(3,4-dipropoxyphenyl)ethylamino]propan-1-ol
CID 114987094
4-(1-bromo-2-ethylbutyl)-1,2-dipropoxybenzene
CID 63440246

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one?
The IUPAC name of 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one (CID 79304001) is 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one.
What is the SMILES notation for 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one?
The canonical SMILES for 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one is CCCOc1ccc(C(C)C(=O)C(C)C)cc1OCCC.
What is the InChIKey of 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one?
The InChIKey is OXIGKKJGPUZJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-6-10-20-16-9-8-15(12-17(16)21-11-7-2)14(5)18(19)13(3)4/h8-9,12-14H,6-7,10-11H2,1-5H3.
What are the key properties of 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one?
2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one has a molecular weight of 292.42 g/mol, XLogP of 4.59, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dipropoxyphenyl)-4-methylpentan-3-one is sourced from PubChem (CID 79304001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).