(1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

C17H20O6 — CID 56838657

IUPAC(1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
SMILESCOc1cc(C(CO)[C@@H](O)c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12?,17-/m0/s1
InChIKeyDFUOJBWSSSODTR-TYJDENFWSA-N
MW320.34 g/mol
LogP1.92
Rot. Bonds6

About (1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol

(1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol (PubChem CID 56838657) has the molecular formula C17H20O6 and a molecular weight of 320.34 g/mol. Its IUPAC name is (1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol.

Molecular Properties

Compound Name(1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
PubChem CID56838657
Molecular FormulaC17H20O6
Molecular Weight320.34 g/mol
Exact Mass320.13
IUPAC Name(1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
SMILESCOc1cc(C(CO)[C@@H](O)c2ccc(O)c(OC)c2)ccc1O
InChIInChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12?,17-/m0/s1
InChIKeyDFUOJBWSSSODTR-TYJDENFWSA-N
XLogP1.92
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,2R)-1,2-bis(4-hydroxy-3-methoxyphenyl)butane-1,4-diol
CID 10664426
1-(4-hydroxy-3-methoxyphenyl)-4-sulfanylbutane-1,2-diol
CID 171873963
(1S,2S)-2-[4-[(1S,2R)-1-ethoxy-3-hydroxy-2-(4-hydroxy-3-methoxyphenyl)propyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 134138216
1-(4-hydroxy-3-methoxyphenyl)-4-(methylamino)butane-1,2-diol
CID 171890088
2-[4-[2-[4-[1,3-dihydroxy-2-(2-methoxyphenoxy)propyl]-2-methoxyphenoxy]-1,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 132938044
4-[(1S,2S)-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-1-(3-methoxyphenyl)propan-2-yl]-2-methoxyphenol
CID 162862647
4-(1-hydroxy-2,3,3-trimethylbutyl)-2-methoxyphenol
CID 58361160
4-[4-(4-hydroxyphenyl)hexan-3-yl]-2-methoxyphenol
CID 21123610
2-(3,5-dichlorophenoxy)-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 102053672
4-(2-amino-1-hydroxy-4-methylpentyl)-2-methoxyphenol
CID 55112135
(1S,2R,3R)-1-(4-hydroxy-3-methoxyphenyl)-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2-(hydroxymethyl)butane-1,4-diol;methanol
CID 139195573
(1S,2R)-2-[4-[(1S,2R)-2-[4-[(1S,2R)-2-[4-(1,3-dihydroxypropyl)-2-methoxyphenoxy]-1,3-dihydroxypropyl]-2-methoxyphenoxy]-1,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
CID 10557230

Frequently Asked Questions

What is the IUPAC name of (1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol?
The IUPAC name of (1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol (CID 56838657) is (1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol.
What is the SMILES notation for (1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol?
The canonical SMILES for (1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol is COc1cc(C(CO)[C@@H](O)c2ccc(O)c(OC)c2)ccc1O.
What is the InChIKey of (1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol?
The InChIKey is DFUOJBWSSSODTR-TYJDENFWSA-N. The full InChI is InChI=1S/C17H20O6/c1-22-15-7-10(3-5-13(15)19)12(9-18)17(21)11-4-6-14(20)16(8-11)23-2/h3-8,12,17-21H,9H2,1-2H3/t12?,17-/m0/s1.
What are the key properties of (1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol?
(1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol has a molecular weight of 320.34 g/mol, XLogP of 1.92, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,2-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-diol is sourced from PubChem (CID 56838657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).