1-hydroxy-1-(4-methoxyphenyl)propan-2-one

C10H12O3 — CID 10080999

IUPAC1-hydroxy-1-(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(C(O)C(C)=O)cc1
InChIInChI=1S/C10H12O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-6,10,12H,1-2H3
InChIKeyUVVXGUZSUNRWQG-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.32
Rot. Bonds3

About 1-hydroxy-1-(4-methoxyphenyl)propan-2-one

1-hydroxy-1-(4-methoxyphenyl)propan-2-one (PubChem CID 10080999) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-hydroxy-1-(4-methoxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-(4-methoxyphenyl)propan-2-one
PubChem CID10080999
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-hydroxy-1-(4-methoxyphenyl)propan-2-one
SMILESCOc1ccc(C(O)C(C)=O)cc1
InChIInChI=1S/C10H12O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-6,10,12H,1-2H3
InChIKeyUVVXGUZSUNRWQG-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
calcium bis(2-hydroxy-2-(4-methoxyphenyl)acetate)
CID 140565006
3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid
CID 70435403
(2S)-2-hydroxy-2-(4-methoxyphenyl)-N-methylacetamide
CID 92859938
(3R,4R)-4-hydroxy-4-(4-methoxyphenyl)-3-methylbutan-2-one
CID 129403910
(1S)-1-chloro-1-(4-methoxyphenyl)propan-2-one
CID 86318456
2-(4-methoxyphenyl)-3-oxobutanenitrile
CID 159061964
propan-2-yl (2S)-2-hydroxy-2-(4-methoxyphenyl)acetate
CID 129353793
2-hydroxy-2-(4-methoxyphenyl)-N,N-dimethylethanethioamide
CID 10198432
[2-hydroxy-2-(4-methoxyphenyl)ethyl] acetate
CID 13275342
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(4-methoxyphenyl)propan-2-one?
The IUPAC name of 1-hydroxy-1-(4-methoxyphenyl)propan-2-one (CID 10080999) is 1-hydroxy-1-(4-methoxyphenyl)propan-2-one.
What is the SMILES notation for 1-hydroxy-1-(4-methoxyphenyl)propan-2-one?
The canonical SMILES for 1-hydroxy-1-(4-methoxyphenyl)propan-2-one is COc1ccc(C(O)C(C)=O)cc1.
What is the InChIKey of 1-hydroxy-1-(4-methoxyphenyl)propan-2-one?
The InChIKey is UVVXGUZSUNRWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(11)10(12)8-3-5-9(13-2)6-4-8/h3-6,10,12H,1-2H3.
What are the key properties of 1-hydroxy-1-(4-methoxyphenyl)propan-2-one?
1-hydroxy-1-(4-methoxyphenyl)propan-2-one has a molecular weight of 180.20 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-(4-methoxyphenyl)propan-2-one is sourced from PubChem (CID 10080999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).