1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one

C12H16O3 — CID 58728327

IUPAC1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one
SMILESCOc1ccc(O)c(C(=O)C(C)(C)C)c1
InChIInChI=1S/C12H16O3/c1-12(2,3)11(14)9-7-8(15-4)5-6-10(9)13/h5-7,13H,1-4H3
InChIKeyCBJQTYKCOJTPNW-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.63
Rot. Bonds2

About 1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one

1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one (PubChem CID 58728327) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one
PubChem CID58728327
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one
SMILESCOc1ccc(O)c(C(=O)C(C)(C)C)c1
InChIInChI=1S/C12H16O3/c1-12(2,3)11(14)9-7-8(15-4)5-6-10(9)13/h5-7,13H,1-4H3
InChIKeyCBJQTYKCOJTPNW-UHFFFAOYSA-N
XLogP2.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylpropanoyl)-4-methoxybenzaldehyde
CID 173118592
(2-hydroxy-5-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 12761367
1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
CID 15267102
1-(4-tert-butylphenyl)-3-(2-hydroxy-5-methoxyphenyl)propane-1,3-dione
CID 877592
(2-hydroxy-5-methoxyphenyl)-(3,4,5-trihydroxyphenyl)methanone
CID 139707986
propan-2-yl 2-hydroxy-5-methoxybenzoate
CID 60731005
N-(1-bromo-2-methylpropan-2-yl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 113476640
N-(3-ethylpentan-3-yl)-2-hydroxy-5-methoxybenzamide
CID 65041292
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-hydroxy-5-methoxybenzamide
CID 107845895
4-(2-hydroxy-5-methoxyphenyl)-4-oxobut-2-enoic acid
CID 54521198
cyclopropane;1-[2-hydroxy-5-[2-(4-methoxyphenyl)propan-2-yl]phenyl]ethanone
CID 143878278
N-(4-formylphenyl)-2-hydroxy-5-methoxybenzamide
CID 106912375

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one (CID 58728327) is 1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one is COc1ccc(O)c(C(=O)C(C)(C)C)c1.
What is the InChIKey of 1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one?
The InChIKey is CBJQTYKCOJTPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-12(2,3)11(14)9-7-8(15-4)5-6-10(9)13/h5-7,13H,1-4H3.
What are the key properties of 1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one?
1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one has a molecular weight of 208.26 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methoxyphenyl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58728327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).