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

C16H16O3 — CID 141100176

IUPAC1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
SMILESCOc1ccc(C(O)(C(C)=O)c2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-12(17)16(18,13-6-4-3-5-7-13)14-8-10-15(19-2)11-9-14/h3-11,18H,1-2H3
InChIKeyBYYYAGRAKDKORT-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.52
Rot. Bonds4

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

1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one (PubChem CID 141100176) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
PubChem CID141100176
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
SMILESCOc1ccc(C(O)(C(C)=O)c2ccccc2)cc1
InChIInChI=1S/C16H16O3/c1-12(17)16(18,13-6-4-3-5-7-13)14-8-10-15(19-2)11-9-14/h3-11,18H,1-2H3
InChIKeyBYYYAGRAKDKORT-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten
CID 20709048
benzhydryl 2-hydroxy-2,2-bis(4-methoxyphenyl)acetate
CID 3480592
(4-methoxyphenyl)methyl 2-hydroxy-2,2-diphenylacetate
CID 16577341
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
2-(4-methoxyphenyl)-2-phenylpropanenitrile
CID 175950796
anisole;ethane;propan-2-one
CID 164986667
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
2-(2,4-dimethoxyphenyl)-2-hydroxy-2-phenylacetic acid
CID 139609897
[bis(4-methoxyphenyl)-phenylmethyl]-λ2-stannane
CID 174814552

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one?
The IUPAC name of 1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one (CID 141100176) is 1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one.
What is the SMILES notation for 1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one?
The canonical SMILES for 1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one is COc1ccc(C(O)(C(C)=O)c2ccccc2)cc1.
What is the InChIKey of 1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one?
The InChIKey is BYYYAGRAKDKORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-12(17)16(18,13-6-4-3-5-7-13)14-8-10-15(19-2)11-9-14/h3-11,18H,1-2H3.
What are the key properties of 1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one?
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one has a molecular weight of 256.30 g/mol, XLogP of 2.52, 4 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)-1-phenylpropan-2-one is sourced from PubChem (CID 141100176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).