1-(4-hydroxyphenyl)propan-2-one

C9H10O2 — CID 7019274

IUPAC1-(4-hydroxyphenyl)propan-2-one
SMILESCC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C9H10O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,11H,6H2,1H3
InChIKeyVWMVAQHMFFZQGD-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.52
Rot. Bonds2

About 1-(4-hydroxyphenyl)propan-2-one

1-(4-hydroxyphenyl)propan-2-one (PubChem CID 7019274) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)propan-2-one
PubChem CID7019274
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-(4-hydroxyphenyl)propan-2-one
SMILESCC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C9H10O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,11H,6H2,1H3
InChIKeyVWMVAQHMFFZQGD-UHFFFAOYSA-N
XLogP1.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[2-(4-hydroxyphenyl)acetyl]phenyl]propan-2-one
CID 141057255
2-hydroxyethyl(trimethyl)azanium;1-(4-hydroxyphenyl)propan-2-one;chloride
CID 162234618
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
1-[4-(iodomethyl)phenyl]propan-2-one
CID 20596365
1-[4-(fluoromethyl)phenyl]propan-2-one
CID 84652370
benzene;1-phenylpropan-2-one
CID 21430852
1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970988
1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one
CID 155748385
1-(4-propylphenyl)propan-2-one
CID 82490574
1-[4-(ethoxymethyl)phenyl]propan-2-one
CID 83878087
benzene-1,4-diol;pentane-2,4-dione
CID 66906799

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-(4-hydroxyphenyl)propan-2-one (CID 7019274) is 1-(4-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-(4-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-(4-hydroxyphenyl)propan-2-one is CC(=O)Cc1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxyphenyl)propan-2-one?
The InChIKey is VWMVAQHMFFZQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7(10)6-8-2-4-9(11)5-3-8/h2-5,11H,6H2,1H3.
What are the key properties of 1-(4-hydroxyphenyl)propan-2-one?
1-(4-hydroxyphenyl)propan-2-one has a molecular weight of 150.18 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 7019274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).