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

C10H12O3 — CID 15574178

IUPAC1-(5-hydroxy-2-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(O)ccc1OC
InChIInChI=1S/C10H12O3/c1-3-9(12)8-6-7(11)4-5-10(8)13-2/h4-6,11H,3H2,1-2H3
InChIKeyCAVAABMYWZZWOK-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.99
Rot. Bonds3

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

1-(5-hydroxy-2-methoxyphenyl)propan-1-one (PubChem CID 15574178) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-(5-hydroxy-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(5-hydroxy-2-methoxyphenyl)propan-1-one
PubChem CID15574178
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-(5-hydroxy-2-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(O)ccc1OC
InChIInChI=1S/C10H12O3/c1-3-9(12)8-6-7(11)4-5-10(8)13-2/h4-6,11H,3H2,1-2H3
InChIKeyCAVAABMYWZZWOK-UHFFFAOYSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2-methoxyphenyl)propan-1-one
CID 68757137
1-[5-(difluoromethoxy)-2-methoxyphenyl]propan-1-one
CID 134628763
5-(5-hydroxy-2-methoxyphenyl)hepta-2,4-dienoic acid
CID 73413850
N-(2-hydroxy-6-methoxy-3-propanoylphenyl)propanamide
CID 59376507
1-(2-amino-4-hydroxyphenyl)propan-1-one
CID 22282751
1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
1-[2-(2-methoxy-4-methylphenoxy)phenyl]propan-1-one
CID 115994697
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone
CID 170896098
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(5-hydroxy-2-methoxyphenyl)propan-1-one (CID 15574178) is 1-(5-hydroxy-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(5-hydroxy-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(5-hydroxy-2-methoxyphenyl)propan-1-one is CCC(=O)c1cc(O)ccc1OC.
What is the InChIKey of 1-(5-hydroxy-2-methoxyphenyl)propan-1-one?
The InChIKey is CAVAABMYWZZWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-9(12)8-6-7(11)4-5-10(8)13-2/h4-6,11H,3H2,1-2H3.
What are the key properties of 1-(5-hydroxy-2-methoxyphenyl)propan-1-one?
1-(5-hydroxy-2-methoxyphenyl)propan-1-one has a molecular weight of 180.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 15574178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).