1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one

C11H12O3 — CID 606040

IUPAC1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1c(C)ccc(OC)c1O
InChIInChI=1S/C11H12O3/c1-4-8(12)10-7(2)5-6-9(14-3)11(10)13/h4-6,13H,1H2,2-3H3
InChIKeyCKGVYKGUWWBWLT-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.08
Rot. Bonds3

About 1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one

1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one (PubChem CID 606040) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one
PubChem CID606040
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one
SMILESC=CC(=O)c1c(C)ccc(OC)c1O
InChIInChI=1S/C11H12O3/c1-4-8(12)10-7(2)5-6-9(14-3)11(10)13/h4-6,13H,1H2,2-3H3
InChIKeyCKGVYKGUWWBWLT-UHFFFAOYSA-N
XLogP2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-3-methylphenyl)prop-2-en-1-one
CID 12610098
2-amino-1-(2-hydroxy-6-methoxy-3-methylphenyl)ethanone
CID 117285154
(6-bromo-2-hydroxy-3-methoxyphenyl) prop-2-enoate
CID 175096593
6-amino-2-hydroxy-3-methoxybenzoic acid
CID 84768914
3,6-dimethoxy-2-methylphenol
CID 13158257
potassium 2-hydroxy-3-methoxy-6-sulfobenzoate
CID 159562719
2-[(E)-3-aminoprop-1-enyl]-6-methoxy-3-methylphenol
CID 117283641
1-(2-methoxy-5-propan-2-ylphenyl)prop-2-en-1-one
CID 82282797
6-ethyl-2-hydroxy-3-methoxybenzoic acid
CID 84666719
2-formyl-6-methoxy-3-methylbenzoyl chloride
CID 171022028
1-(2-fluoro-3-methoxyphenyl)prop-2-en-1-one
CID 103453675
1-(2-iodo-6-methoxy-3-methylphenyl)ethanone
CID 171010641

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one?
The IUPAC name of 1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one (CID 606040) is 1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one?
The canonical SMILES for 1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one is C=CC(=O)c1c(C)ccc(OC)c1O.
What is the InChIKey of 1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one?
The InChIKey is CKGVYKGUWWBWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-4-8(12)10-7(2)5-6-9(14-3)11(10)13/h4-6,13H,1H2,2-3H3.
What are the key properties of 1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one?
1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one has a molecular weight of 192.21 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-methoxy-6-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 606040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).