1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one

C15H22O3 — CID 82160972

IUPAC1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one
SMILESCCOc1cc(CC(=O)CC)ccc1OC(C)C
InChIInChI=1S/C15H22O3/c1-5-13(16)9-12-7-8-14(18-11(3)4)15(10-12)17-6-2/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyKSLWYNZVMXNKSP-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.39
Rot. Bonds7

About 1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one

1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one (PubChem CID 82160972) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one.

Molecular Properties

Compound Name1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one
PubChem CID82160972
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one
SMILESCCOc1cc(CC(=O)CC)ccc1OC(C)C
InChIInChI=1S/C15H22O3/c1-5-13(16)9-12-7-8-14(18-11(3)4)15(10-12)17-6-2/h7-8,10-11H,5-6,9H2,1-4H3
InChIKeyKSLWYNZVMXNKSP-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-butoxy-3-ethoxyphenyl)butan-2-one
CID 82160747
1-(3-ethoxy-4-hydroxyphenyl)butan-2-one
CID 154133962
1-(4-nitro-3-propan-2-yloxyphenyl)butan-2-one
CID 83013412
methyl 3-(3-ethoxy-4-propan-2-yloxyphenyl)propanoate
CID 82186161
N-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43278204
propan-2-yl 3-ethoxy-4-propan-2-yloxybenzoate
CID 82186234
1-(3-methoxy-4-propan-2-ylphenyl)butan-2-one
CID 10513136
2-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]cyclohexan-1-one
CID 82185931
2-[4-(aminomethyl)-2-ethoxyphenoxy]-N,N-dimethylpropanamide
CID 43122479
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline
CID 83952039
1-(3,4-diethoxyphenyl)-7-propan-2-ylsulfonylheptan-2-one
CID 58144729

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one?
The IUPAC name of 1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one (CID 82160972) is 1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one.
What is the SMILES notation for 1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one?
The canonical SMILES for 1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one is CCOc1cc(CC(=O)CC)ccc1OC(C)C.
What is the InChIKey of 1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one?
The InChIKey is KSLWYNZVMXNKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-5-13(16)9-12-7-8-14(18-11(3)4)15(10-12)17-6-2/h7-8,10-11H,5-6,9H2,1-4H3.
What are the key properties of 1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one?
1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one has a molecular weight of 250.34 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxy-4-propan-2-yloxyphenyl)butan-2-one is sourced from PubChem (CID 82160972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).