(1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one

C17H18O3 — CID 135044338

IUPAC(1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one
SMILESCOc1ccc([C@@H](O)C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-20-15-10-8-14(9-11-15)17(19)16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11,17,19H,7,12H2,1H3/t17-/m1/s1
InChIKeyATXXXZDOENMDEW-QGZVFWFLSA-N
MW270.33 g/mol
LogP2.93
Rot. Bonds6

About (1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one

(1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one (PubChem CID 135044338) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one.

Molecular Properties

Compound Name(1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one
PubChem CID135044338
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one
SMILESCOc1ccc([C@@H](O)C(=O)CCc2ccccc2)cc1
InChIInChI=1S/C17H18O3/c1-20-15-10-8-14(9-11-15)17(19)16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11,17,19H,7,12H2,1H3/t17-/m1/s1
InChIKeyATXXXZDOENMDEW-QGZVFWFLSA-N
XLogP2.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1,4-bis(4-methoxyphenyl)pentan-3-one
CID 166438923
N-[(S)-(4-methoxyphenyl)-phenylmethyl]-3-phenylpropanamide
CID 891641
3-(4-methoxyphenyl)-3-(3-phenylpropanoylamino)propanoic acid
CID 45436465
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
ethane;2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 143238154
(4-methoxyphenyl)methyl 3-phenylpropanoate
CID 23201626
3-hydroxy-3-(4-methoxyphenyl)-2-oxopropanoic acid
CID 70435403
1-diazo-1-(4-methoxyphenyl)-4-phenylbutan-2-one
CID 159299174
methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate
CID 82344726
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
3-(4-methoxyphenyl)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 133220674
(E)-1-(4-methoxyphenyl)-5-phenylpent-1-en-3-one
CID 162400827

Frequently Asked Questions

What is the IUPAC name of (1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one?
The IUPAC name of (1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one (CID 135044338) is (1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one.
What is the SMILES notation for (1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one?
The canonical SMILES for (1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one is COc1ccc([C@@H](O)C(=O)CCc2ccccc2)cc1.
What is the InChIKey of (1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one?
The InChIKey is ATXXXZDOENMDEW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18O3/c1-20-15-10-8-14(9-11-15)17(19)16(18)12-7-13-5-3-2-4-6-13/h2-6,8-11,17,19H,7,12H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one?
(1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one has a molecular weight of 270.33 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one is sourced from PubChem (CID 135044338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).