5-(4-ethoxy-3-methoxyphenyl)hexan-2-one

C15H22O3 — CID 83938305

IUPAC5-(4-ethoxy-3-methoxyphenyl)hexan-2-one
SMILESCCOc1ccc(C(C)CCC(C)=O)cc1OC
InChIInChI=1S/C15H22O3/c1-5-18-14-9-8-13(10-15(14)17-4)11(2)6-7-12(3)16/h8-11H,5-7H2,1-4H3
InChIKeySSUAWJJDFTVOBT-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.57
Rot. Bonds7

About 5-(4-ethoxy-3-methoxyphenyl)hexan-2-one

5-(4-ethoxy-3-methoxyphenyl)hexan-2-one (PubChem CID 83938305) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-(4-ethoxy-3-methoxyphenyl)hexan-2-one.

Molecular Properties

Compound Name5-(4-ethoxy-3-methoxyphenyl)hexan-2-one
PubChem CID83938305
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name5-(4-ethoxy-3-methoxyphenyl)hexan-2-one
SMILESCCOc1ccc(C(C)CCC(C)=O)cc1OC
InChIInChI=1S/C15H22O3/c1-5-18-14-9-8-13(10-15(14)17-4)11(2)6-7-12(3)16/h8-11H,5-7H2,1-4H3
InChIKeySSUAWJJDFTVOBT-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxy-3-methoxyphenyl)butane-1-thiol
CID 83938307
6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
CID 83938317
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene
CID 83938363
2-(4-ethoxy-3-methoxyphenyl)propanal
CID 134639564
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825209
methyl 2-[2-(4-ethoxy-3-methoxyphenyl)propyl]cyclopropane-1-carboxylate
CID 83938424
5-(3-methoxyphenyl)hexan-2-one
CID 83928904
5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
CID 116940680
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171869417
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 170875743

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-3-methoxyphenyl)hexan-2-one?
The IUPAC name of 5-(4-ethoxy-3-methoxyphenyl)hexan-2-one (CID 83938305) is 5-(4-ethoxy-3-methoxyphenyl)hexan-2-one.
What is the SMILES notation for 5-(4-ethoxy-3-methoxyphenyl)hexan-2-one?
The canonical SMILES for 5-(4-ethoxy-3-methoxyphenyl)hexan-2-one is CCOc1ccc(C(C)CCC(C)=O)cc1OC.
What is the InChIKey of 5-(4-ethoxy-3-methoxyphenyl)hexan-2-one?
The InChIKey is SSUAWJJDFTVOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-18-14-9-8-13(10-15(14)17-4)11(2)6-7-12(3)16/h8-11H,5-7H2,1-4H3.
What are the key properties of 5-(4-ethoxy-3-methoxyphenyl)hexan-2-one?
5-(4-ethoxy-3-methoxyphenyl)hexan-2-one has a molecular weight of 250.34 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-3-methoxyphenyl)hexan-2-one is sourced from PubChem (CID 83938305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).