(2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one

C17H18O4 — CID 122377708

IUPAC(2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1cccc(C(=O)[C@H](O)[C@H](OC)c2ccccc2)c1
InChIInChI=1S/C17H18O4/c1-20-14-10-6-9-13(11-14)15(18)16(19)17(21-2)12-7-4-3-5-8-12/h3-11,16-17,19H,1-2H3/t16-,17+/m0/s1
InChIKeyOYQYCDOFRFAEDY-DLBZAZTESA-N
MW286.33 g/mol
LogP2.63
Rot. Bonds6

About (2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one

(2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one (PubChem CID 122377708) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one
PubChem CID122377708
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1cccc(C(=O)[C@H](O)[C@H](OC)c2ccccc2)c1
InChIInChI=1S/C17H18O4/c1-20-14-10-6-9-13(11-14)15(18)16(19)17(21-2)12-7-4-3-5-8-12/h3-11,16-17,19H,1-2H3/t16-,17+/m0/s1
InChIKeyOYQYCDOFRFAEDY-DLBZAZTESA-N
XLogP2.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1,3-bis(3-methoxyphenyl)propane-1,3-dione
CID 139919860
(2R,3R)-2,3-dihydroxy-1-(3-methoxyphenyl)-6-phenylhexan-1-one
CID 11781998
2,2-difluoro-1-(3-methoxyphenyl)ethanone
CID 91636166
2-chloro-1-(3-methoxyphenyl)propan-1-one
CID 45080933
1-methoxy-3-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 116757004
3-(3-methoxyphenyl)-2-(methylamino)-3-oxopropanoic acid
CID 116924251
tert-butyl-[(2S)-1-(3-methoxyphenyl)-1-oxopropan-2-yl]carbamic acid
CID 66812593
3-methoxy-N'-[(2S)-2-methoxy-2-phenylacetyl]benzohydrazide
CID 40541391
(2S,4R,6R,7R)-7-hydroxy-1,7-bis(3-methoxyphenyl)-2,4,6-tris(phenylmethoxy)heptan-1-one
CID 102163629
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
2-methoxy-1-(3-methoxyphenyl)pentan-1-one
CID 116708051
3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 40542957

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one?
The IUPAC name of (2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one (CID 122377708) is (2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for (2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for (2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one is COc1cccc(C(=O)[C@H](O)[C@H](OC)c2ccccc2)c1.
What is the InChIKey of (2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one?
The InChIKey is OYQYCDOFRFAEDY-DLBZAZTESA-N. The full InChI is InChI=1S/C17H18O4/c1-20-14-10-6-9-13(11-14)15(18)16(19)17(21-2)12-7-4-3-5-8-12/h3-11,16-17,19H,1-2H3/t16-,17+/m0/s1.
What are the key properties of (2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one?
(2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one has a molecular weight of 286.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-hydroxy-3-methoxy-1-(3-methoxyphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 122377708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).