(1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol

C20H24O7 — CID 101225308

IUPAC(1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol
SMILESCOc1cc(/C=C/CO)ccc1Oc1ccc([C@@H](O)[C@H](O)CO)cc1OC
InChIInChI=1S/C20H24O7/c1-25-18-10-13(4-3-9-21)5-7-16(18)27-17-8-6-14(11-19(17)26-2)20(24)15(23)12-22/h3-8,10-11,15,20-24H,9,12H2,1-2H3/b4-3+/t15-,20-/m1/s1
InChIKeyKMJDIASDMFXRSG-RMDCCSFISA-N
MW376.41 g/mol
LogP1.89
Rot. Bonds9

About (1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol

(1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol (PubChem CID 101225308) has the molecular formula C20H24O7 and a molecular weight of 376.41 g/mol. Its IUPAC name is (1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol
PubChem CID101225308
Molecular FormulaC20H24O7
Molecular Weight376.41 g/mol
Exact Mass376.15
IUPAC Name(1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol
SMILESCOc1cc(/C=C/CO)ccc1Oc1ccc([C@@H](O)[C@H](O)CO)cc1OC
InChIInChI=1S/C20H24O7/c1-25-18-10-13(4-3-9-21)5-7-16(18)27-17-8-6-14(11-19(17)26-2)20(24)15(23)12-22/h3-8,10-11,15,20-24H,9,12H2,1-2H3/b4-3+/t15-,20-/m1/s1
InChIKeyKMJDIASDMFXRSG-RMDCCSFISA-N
XLogP1.89
TPSA108.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(1R,2R)-1-(3,4-dimethoxyphenyl)-2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 14123326
(1R,2S)-1-(3,4-dimethoxyphenyl)-2-[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenoxy]propan-1-ol
CID 14018340
1-[3-methoxy-4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]phenyl]propane-1,2-diol
CID 164608626
(E,1R,2R)-1,5-bis(3,4-dimethoxyphenyl)-2-(methoxymethyl)pent-4-en-1-ol
CID 102287543
(1R,2S)-1-(3,4-dimethoxyphenyl)-2-[(E)-3-(4-methoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 10904434
1-(3,4-dimethoxyphenyl)-2-[3-(4-methoxyphenyl)prop-2-enyl]propane-1,3-diol
CID 73118158
1-(3-ethoxy-4-methoxyphenyl)propane-1,2,3-triol
CID 170819078
1-(3-amino-4-methoxyphenyl)propane-1,2,3-triol
CID 170817978
(1S,2R)-1-(4-hydroxyphenyl)-2-[[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenyl]methyl]propane-1,3-diol
CID 162830057
(E)-3-(4-methoxy-3-methylphenyl)prop-2-en-1-ol
CID 59912945
3-(3-amino-4-methoxyphenyl)prop-2-en-1-ol
CID 66664968
5-(3-hydroxyprop-1-enyl)-2-methoxyphenol
CID 79334673

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol?
The IUPAC name of (1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol (CID 101225308) is (1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol.
What is the SMILES notation for (1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol?
The canonical SMILES for (1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol is COc1cc(/C=C/CO)ccc1Oc1ccc([C@@H](O)[C@H](O)CO)cc1OC.
What is the InChIKey of (1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol?
The InChIKey is KMJDIASDMFXRSG-RMDCCSFISA-N. The full InChI is InChI=1S/C20H24O7/c1-25-18-10-13(4-3-9-21)5-7-16(18)27-17-8-6-14(11-19(17)26-2)20(24)15(23)12-22/h3-8,10-11,15,20-24H,9,12H2,1-2H3/b4-3+/t15-,20-/m1/s1.
What are the key properties of (1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol?
(1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol has a molecular weight of 376.41 g/mol, XLogP of 1.89, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-[4-[(E)-3-hydroxyprop-1-enyl]-2-methoxyphenoxy]-3-methoxyphenyl]propane-1,2,3-triol is sourced from PubChem (CID 101225308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).