(2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone

C15H14O5 — CID 162817893

IUPAC(2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone
SMILESCO[C@H](C(=O)c1ccc(O)cc1O)c1ccc(O)cc1
InChIInChI=1S/C15H14O5/c1-20-15(9-2-4-10(16)5-3-9)14(19)12-7-6-11(17)8-13(12)18/h2-8,15-18H,1H3/t15-/m0/s1
InChIKeyCAJGWLYVMSYVPV-HNNXBMFYSA-N
MW274.27 g/mol
LogP2.37
Rot. Bonds4

About (2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone

(2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone (PubChem CID 162817893) has the molecular formula C15H14O5 and a molecular weight of 274.27 g/mol. Its IUPAC name is (2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone.

Molecular Properties

Compound Name(2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone
PubChem CID162817893
Molecular FormulaC15H14O5
Molecular Weight274.27 g/mol
Exact Mass274.08
IUPAC Name(2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone
SMILESCO[C@H](C(=O)c1ccc(O)cc1O)c1ccc(O)cc1
InChIInChI=1S/C15H14O5/c1-20-15(9-2-4-10(16)5-3-9)14(19)12-7-6-11(17)8-13(12)18/h2-8,15-18H,1H3/t15-/m0/s1
InChIKeyCAJGWLYVMSYVPV-HNNXBMFYSA-N
XLogP2.37
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one
CID 821427
2,4-dihydroxybenzoic acid
CID 1491
(2S)-1-(2,4-dihydroxyphenyl)-2-methylbutan-1-one
CID 14716302
(2S,3S)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2,3-dihydroxypropan-1-one
CID 71734514
(4-tert-butyl-2-hydroxyphenyl)-(2,4-dihydroxyphenyl)methanone
CID 69457104
(2S)-2-[(2,4-dihydroxybenzoyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63303631
2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 103714343
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
N-(3-bromo-5-methoxyphenyl)-2,4-dihydroxybenzamide
CID 103878372
2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
CID 116769538
N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide
CID 103606001
1-(2,4-dimethoxyphenyl)-2-hydroxy-2-(4-hydroxyphenyl)ethanone
CID 91509834

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone?
The IUPAC name of (2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone (CID 162817893) is (2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone.
What is the SMILES notation for (2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone?
The canonical SMILES for (2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone is CO[C@H](C(=O)c1ccc(O)cc1O)c1ccc(O)cc1.
What is the InChIKey of (2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone?
The InChIKey is CAJGWLYVMSYVPV-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14O5/c1-20-15(9-2-4-10(16)5-3-9)14(19)12-7-6-11(17)8-13(12)18/h2-8,15-18H,1H3/t15-/m0/s1.
What are the key properties of (2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone?
(2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone has a molecular weight of 274.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,4-dihydroxyphenyl)-2-(4-hydroxyphenyl)-2-methoxyethanone is sourced from PubChem (CID 162817893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).