1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one

C11H14O3 — CID 84665339

IUPAC1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one
SMILESCOc1cc(C)c(O)c(CC(C)=O)c1
InChIInChI=1S/C11H14O3/c1-7-4-10(14-3)6-9(11(7)13)5-8(2)12/h4,6,13H,5H2,1-3H3
InChIKeyQVWHKYHDBBIGAQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.84
Rot. Bonds3

About 1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one

1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one (PubChem CID 84665339) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one
PubChem CID84665339
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one
SMILESCOc1cc(C)c(O)c(CC(C)=O)c1
InChIInChI=1S/C11H14O3/c1-7-4-10(14-3)6-9(11(7)13)5-8(2)12/h4,6,13H,5H2,1-3H3
InChIKeyQVWHKYHDBBIGAQ-UHFFFAOYSA-N
XLogP1.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 83886474
1-(3-tert-butyl-2-hydroxy-5-methoxyphenyl)propan-2-one
CID 117345137
4-methoxy-2-methyl-6-(methylaminomethyl)phenol
CID 84657983
methyl 2-amino-3-(2-hydroxy-5-methoxy-3-methylphenyl)propanoate
CID 170884303
1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 12616793
1-(2-fluoro-3-hydroxy-5-methoxyphenyl)propan-2-one
CID 117287584
1-(3-bromo-2,5-dimethoxyphenyl)propan-2-one
CID 83903980
1-(3-chloro-2-hydroxy-4-methoxy-5-methylphenyl)propan-2-one
CID 84792455
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390
1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-one
CID 117340711
2-(2-hydroxy-5-methoxy-3-methylphenyl)-4-methoxy-6-methylphenol
CID 59106217
2-amino-1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 84665966

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one?
The IUPAC name of 1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one (CID 84665339) is 1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one?
The canonical SMILES for 1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one is COc1cc(C)c(O)c(CC(C)=O)c1.
What is the InChIKey of 1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one?
The InChIKey is QVWHKYHDBBIGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-4-10(14-3)6-9(11(7)13)5-8(2)12/h4,6,13H,5H2,1-3H3.
What are the key properties of 1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one?
1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one has a molecular weight of 194.23 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one is sourced from PubChem (CID 84665339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).