2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one

C13H16O4 — CID 174904378

IUPAC2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one
SMILESC=CCc1ccc(O)c(OC)c1C(=O)C(C)O
InChIInChI=1S/C13H16O4/c1-4-5-9-6-7-10(15)13(17-3)11(9)12(16)8(2)14/h4,6-8,14-15H,1,5H2,2-3H3
InChIKeySGPXXNCRGAGMAN-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.69
Rot. Bonds5

About 2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one

2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one (PubChem CID 174904378) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one
PubChem CID174904378
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one
SMILESC=CCc1ccc(O)c(OC)c1C(=O)C(C)O
InChIInChI=1S/C13H16O4/c1-4-5-9-6-7-10(15)13(17-3)11(9)12(16)8(2)14/h4,6-8,14-15H,1,5H2,2-3H3
InChIKeySGPXXNCRGAGMAN-UHFFFAOYSA-N
XLogP1.69
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-3-methyl-4-prop-2-enylphenol
CID 15607491
acetic acid;2-methoxy-3-prop-2-enylphenol
CID 174703857
3-ethenyl-4-ethyl-2-methoxyphenol
CID 174818849
2-methoxy-3-methyl-6-prop-2-enylphenol
CID 130034718
1-[4-methoxy-3,5-bis(prop-2-enyl)phenyl]ethanone
CID 54517444
5-methoxy-2-prop-2-enylphenol
CID 6424515
1-(6-amino-3-hydroxy-2-prop-2-enylphenyl)-2-methylpropan-1-one
CID 123252866
3,6-dihydroxy-2-methoxybenzoic acid
CID 15647609
3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene
CID 13487722
4-hydroxy-2-methoxy-3-prop-2-enylbenzaldehyde
CID 142702525
(4-hydroxy-2-methoxy-3-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone
CID 67715458
1-(2,6-dihydroxy-3-prop-2-enylphenyl)-2-(dimethylamino)ethanone
CID 170896213

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one?
The IUPAC name of 2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one (CID 174904378) is 2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one.
What is the SMILES notation for 2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one?
The canonical SMILES for 2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one is C=CCc1ccc(O)c(OC)c1C(=O)C(C)O.
What is the InChIKey of 2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one?
The InChIKey is SGPXXNCRGAGMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-4-5-9-6-7-10(15)13(17-3)11(9)12(16)8(2)14/h4,6-8,14-15H,1,5H2,2-3H3.
What are the key properties of 2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one?
2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one has a molecular weight of 236.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(3-hydroxy-2-methoxy-6-prop-2-enylphenyl)propan-1-one is sourced from PubChem (CID 174904378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).