(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione

C18H18O3 — CID 23661145

IUPAC(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione
SMILESCOc1ccc([C@@H](CC(=O)c2ccccc2)C(C)=O)cc1
InChIInChI=1S/C18H18O3/c1-13(19)17(14-8-10-16(21-2)11-9-14)12-18(20)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3/t17-/m0/s1
InChIKeyBJZWKYRXEVIYCI-KRWDZBQOSA-N
MW282.34 g/mol
LogP3.64
Rot. Bonds6

About (3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione

(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione (PubChem CID 23661145) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione.

Molecular Properties

Compound Name(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione
PubChem CID23661145
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione
SMILESCOc1ccc([C@@H](CC(=O)c2ccccc2)C(C)=O)cc1
InChIInChI=1S/C18H18O3/c1-13(19)17(14-8-10-16(21-2)11-9-14)12-18(20)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3/t17-/m0/s1
InChIKeyBJZWKYRXEVIYCI-KRWDZBQOSA-N
XLogP3.64
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
3-(4-methylphenyl)-1-phenylpentane-1,4-dione
CID 53348977
3-(hydroxyamino)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 15639389
1-(2-aminophenyl)-2-(4-methoxyphenyl)-4-phenylbutane-1,4-dione
CID 177441445
4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 71421950
2-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]benzoic acid
CID 11078900
3-(4-methoxyphenyl)-3-[5-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]-1H-pyrrol-2-yl]-1-phenylpropan-1-one
CID 102404117
3-(hydroxymethylsulfanyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 66695276
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
diethyl 2-[(1R)-1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]propanedioate
CID 97304069
3-(benzenesulfonyl)-3-(4-methoxyphenyl)-1-phenylpropan-1-one
CID 3135155
(3S)-3-(4-methoxyphenyl)-3-[methyl(phenyl)phosphoryl]-1-phenylpropan-1-one
CID 132581632

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione?
The IUPAC name of (3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione (CID 23661145) is (3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione.
What is the SMILES notation for (3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione?
The canonical SMILES for (3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione is COc1ccc([C@@H](CC(=O)c2ccccc2)C(C)=O)cc1.
What is the InChIKey of (3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione?
The InChIKey is BJZWKYRXEVIYCI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18O3/c1-13(19)17(14-8-10-16(21-2)11-9-14)12-18(20)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3/t17-/m0/s1.
What are the key properties of (3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione?
(3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione has a molecular weight of 282.34 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methoxyphenyl)-1-phenylpentane-1,4-dione is sourced from PubChem (CID 23661145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).