1-(3-hydroxyphenyl)-1-methoxybutan-2-one

C11H14O3 — CID 83226773

IUPAC1-(3-hydroxyphenyl)-1-methoxybutan-2-one
SMILESCCC(=O)C(OC)c1cccc(O)c1
InChIInChI=1S/C11H14O3/c1-3-10(13)11(14-2)8-5-4-6-9(12)7-8/h4-7,11-12H,3H2,1-2H3
InChIKeyMEPSQWQCODODPZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.06
Rot. Bonds4

About 1-(3-hydroxyphenyl)-1-methoxybutan-2-one

1-(3-hydroxyphenyl)-1-methoxybutan-2-one (PubChem CID 83226773) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-1-methoxybutan-2-one.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-1-methoxybutan-2-one
PubChem CID83226773
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(3-hydroxyphenyl)-1-methoxybutan-2-one
SMILESCCC(=O)C(OC)c1cccc(O)c1
InChIInChI=1S/C11H14O3/c1-3-10(13)11(14-2)8-5-4-6-9(12)7-8/h4-7,11-12H,3H2,1-2H3
InChIKeyMEPSQWQCODODPZ-UHFFFAOYSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-1-[3-(trifluoromethyl)phenyl]butan-2-one
CID 83225619
3-(3-hydroxyphenyl)-3-methoxypropanoic acid
CID 83831133
N-(4-aminobut-2-enyl)-2-(3-hydroxyphenyl)-2-methoxyacetamide
CID 166794523
N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
CID 20616558
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-methoxypropanamide
CID 112696419
1-methoxy-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 83225734
3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
3-(1-hydroxy-2-methylsulfonylethyl)phenol
CID 115029574
ethyl (3R)-3-amino-3-(3-hydroxyphenyl)propanoate
CID 686204
ethyl 3-(3-hydroxyphenyl)-2-methylbutanoate
CID 71083668
ethyl (3R)-3-(3-hydroxyphenyl)-4-methoxybutanoate
CID 125042068
1-methoxy-4-methyl-1-phenylpentan-2-one
CID 86204563

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-1-methoxybutan-2-one?
The IUPAC name of 1-(3-hydroxyphenyl)-1-methoxybutan-2-one (CID 83226773) is 1-(3-hydroxyphenyl)-1-methoxybutan-2-one.
What is the SMILES notation for 1-(3-hydroxyphenyl)-1-methoxybutan-2-one?
The canonical SMILES for 1-(3-hydroxyphenyl)-1-methoxybutan-2-one is CCC(=O)C(OC)c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-1-methoxybutan-2-one?
The InChIKey is MEPSQWQCODODPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-10(13)11(14-2)8-5-4-6-9(12)7-8/h4-7,11-12H,3H2,1-2H3.
What are the key properties of 1-(3-hydroxyphenyl)-1-methoxybutan-2-one?
1-(3-hydroxyphenyl)-1-methoxybutan-2-one has a molecular weight of 194.23 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-1-methoxybutan-2-one is sourced from PubChem (CID 83226773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).