1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one

C12H16O3 — CID 84676009

IUPAC1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one
SMILESCCc1cc(CC(C)=O)c(O)c(OC)c1
InChIInChI=1S/C12H16O3/c1-4-9-6-10(5-8(2)13)12(14)11(7-9)15-3/h6-7,14H,4-5H2,1-3H3
InChIKeyYHWZKIWYXNAUDV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.09
Rot. Bonds4

About 1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one

1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one (PubChem CID 84676009) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one
PubChem CID84676009
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one
SMILESCCc1cc(CC(C)=O)c(O)c(OC)c1
InChIInChI=1S/C12H16O3/c1-4-9-6-10(5-8(2)13)12(14)11(7-9)15-3/h6-7,14H,4-5H2,1-3H3
InChIKeyYHWZKIWYXNAUDV-UHFFFAOYSA-N
XLogP2.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-2-hydroxy-3-methoxyphenyl)methanesulfonyl chloride
CID 117416233
methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate
CID 170884311
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
3-(5-ethyl-2-hydroxy-3-methoxyphenyl)butanal
CID 117318165
1-(1-hydroxy-4-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-one
CID 117340711
3-(5-ethyl-2,3-dimethoxyphenyl)propanoic acid
CID 117349160
1-[2-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 83883722
1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one
CID 84665339
5-(5-ethyl-2-methoxyphenyl)-4-methylpentan-2-one
CID 83942693
1-(5-bromo-2-hydroxy-3-methoxy-6-methylphenyl)propan-2-one
CID 84713496
methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate
CID 84790003
4-(3-chloro-4-hydroxy-5-methoxyphenyl)butan-2-one
CID 82184694

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one?
The IUPAC name of 1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one (CID 84676009) is 1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one is CCc1cc(CC(C)=O)c(O)c(OC)c1.
What is the InChIKey of 1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one?
The InChIKey is YHWZKIWYXNAUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-9-6-10(5-8(2)13)12(14)11(7-9)15-3/h6-7,14H,4-5H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one?
1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one has a molecular weight of 208.26 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-hydroxy-3-methoxyphenyl)propan-2-one is sourced from PubChem (CID 84676009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).