(2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one

C18H20O7 — CID 163102563

IUPAC(2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)[C@@H](CO)c2cc(OC)c(O)c(OC)c2)ccc1O
InChIInChI=1S/C18H20O7/c1-23-14-6-10(4-5-13(14)20)17(21)12(9-19)11-7-15(24-2)18(22)16(8-11)25-3/h4-8,12,19-20,22H,9H2,1-3H3/t12-/m0/s1
InChIKeyCZKPUZKGTUPACP-LBPRGKRZSA-N
MW348.35 g/mol
LogP2.08
Rot. Bonds7

About (2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one

(2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one (PubChem CID 163102563) has the molecular formula C18H20O7 and a molecular weight of 348.35 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
PubChem CID163102563
Molecular FormulaC18H20O7
Molecular Weight348.35 g/mol
Exact Mass348.12
IUPAC Name(2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
SMILESCOc1cc(C(=O)[C@@H](CO)c2cc(OC)c(O)c(OC)c2)ccc1O
InChIInChI=1S/C18H20O7/c1-23-14-6-10(4-5-13(14)20)17(21)12(9-19)11-7-15(24-2)18(22)16(8-11)25-3/h4-8,12,19-20,22H,9H2,1-3H3/t12-/m0/s1
InChIKeyCZKPUZKGTUPACP-LBPRGKRZSA-N
XLogP2.08
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1,2-bis(4-hydroxy-3-methoxyphenyl)butan-1-one
CID 162941342
1,2-bis(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 86575310
(2S)-2-chloro-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 95423197
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753
(3R,4R)-3-[[4-hydroxy-3-[3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-oxopropan-2-yl]-5-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 73425487
(3R,4R)-3-[[4-hydroxy-3-[(2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-oxopropan-2-yl]-5-methoxyphenyl]methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 163006751
4-amino-2-(4-hydroxy-3-methoxybenzoyl)butanoic acid
CID 166453767
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
(3S)-3-azaniumyl-3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 25418563
1-(4-hydroxy-3-methoxyphenyl)-2-(1-hydroxypropan-2-ylamino)ethanone
CID 69027932
3-hydroxy-2-[2-hydroxy-5-[3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-3-methoxyphenyl]-1-(4-hydroxy-3-methoxyphenyl)propan-1-one
CID 14017337
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one?
The IUPAC name of (2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one (CID 163102563) is (2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one.
What is the SMILES notation for (2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one?
The canonical SMILES for (2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one is COc1cc(C(=O)[C@@H](CO)c2cc(OC)c(O)c(OC)c2)ccc1O.
What is the InChIKey of (2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one?
The InChIKey is CZKPUZKGTUPACP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20O7/c1-23-14-6-10(4-5-13(14)20)17(21)12(9-19)11-7-15(24-2)18(22)16(8-11)25-3/h4-8,12,19-20,22H,9H2,1-3H3/t12-/m0/s1.
What are the key properties of (2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one?
(2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one has a molecular weight of 348.35 g/mol, XLogP of 2.08, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 163102563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).