(2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one

C16H16O4 — CID 821427

IUPAC(2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc([C@H](C)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C16H16O4/c1-10(11-3-6-13(20-2)7-4-11)16(19)14-8-5-12(17)9-15(14)18/h3-10,17-18H,1-2H3/t10-/m0/s1
InChIKeyCCOJFDRSZSSKOG-JTQLQIEISA-N
MW272.30 g/mol
LogP3.09
Rot. Bonds4

About (2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one

(2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one (PubChem CID 821427) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
PubChem CID821427
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc([C@H](C)C(=O)c2ccc(O)cc2O)cc1
InChIInChI=1S/C16H16O4/c1-10(11-3-6-13(20-2)7-4-11)16(19)14-8-5-12(17)9-15(14)18/h3-10,17-18H,1-2H3/t10-/m0/s1
InChIKeyCCOJFDRSZSSKOG-JTQLQIEISA-N
XLogP3.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-6-[2-(4-methoxyphenyl)propanoyl]-1,3-benzodioxol-2-one
CID 21027953
(2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone
CID 162817893
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-4-methoxybenzamide
CID 135738429
2-(4-methoxyphenoxy)ethyl 2,4-dihydroxybenzoate
CID 2647186
(2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one
CID 14716302
4-[(Z)-N-hydroxy-C-(4-methoxyphenyl)carbonimidoyl]benzene-1,3-diol
CID 135881447
1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone
CID 91509834
7-hydroxy-3-[1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)-3-(4-methoxyphenyl)-1-oxopropan-2-yl]chromen-4-one
CID 163067771
1-(2,4-dihydroxyphenyl)-2-[[5-(4-methoxyphenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2648877
2-(4-methoxyphenyl)-N,N-dimethylpropanamide
CID 20710885
1-(2-hydroxy-5-methoxyphenyl)-2-methylpropan-1-one
CID 15267102
2-(4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 154459065

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one?
The IUPAC name of (2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one (CID 821427) is (2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for (2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for (2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one is COc1ccc([C@H](C)C(=O)c2ccc(O)cc2O)cc1.
What is the InChIKey of (2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one?
The InChIKey is CCOJFDRSZSSKOG-JTQLQIEISA-N. The full InChI is InChI=1S/C16H16O4/c1-10(11-3-6-13(20-2)7-4-11)16(19)14-8-5-12(17)9-15(14)18/h3-10,17-18H,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one?
(2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one has a molecular weight of 272.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 821427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).