(1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol

C20H26O7 — CID 10714660

IUPAC(1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol
SMILESCOCOc1cc(OC)cc(OC)c1C[C@@H](O)[C@H](O)c1cccc(OC)c1
InChIInChI=1S/C20H26O7/c1-23-12-27-19-10-15(25-3)9-18(26-4)16(19)11-17(21)20(22)13-6-5-7-14(8-13)24-2/h5-10,17,20-22H,11-12H2,1-4H3/t17-,20-/m1/s1
InChIKeyDLKVYKRBXSMEDJ-YLJYHZDGSA-N
MW378.42 g/mol
LogP2.33
Rot. Bonds10

About (1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol

(1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol (PubChem CID 10714660) has the molecular formula C20H26O7 and a molecular weight of 378.42 g/mol. Its IUPAC name is (1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol
PubChem CID10714660
Molecular FormulaC20H26O7
Molecular Weight378.42 g/mol
Exact Mass378.17
IUPAC Name(1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol
SMILESCOCOc1cc(OC)cc(OC)c1C[C@@H](O)[C@H](O)c1cccc(OC)c1
InChIInChI=1S/C20H26O7/c1-23-12-27-19-10-15(25-3)9-18(26-4)16(19)11-17(21)20(22)13-6-5-7-14(8-13)24-2/h5-10,17,20-22H,11-12H2,1-4H3/t17-,20-/m1/s1
InChIKeyDLKVYKRBXSMEDJ-YLJYHZDGSA-N
XLogP2.33
TPSA86.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxyphenyl)butane-1,2,4-triol
CID 171871929
3-ethoxy-1-(3-methoxyphenyl)propane-1,2-diol
CID 175226142
(1S,2S)-3-[2,4-bis(methoxymethoxy)phenyl]-1-[4-(methoxymethoxy)phenyl]propane-1,2-diol
CID 10993232
(1R)-1-(3-methoxyphenyl)-2-methylbutan-1-ol
CID 102519814
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
1-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]ethanol
CID 150637393
(1S,2S)-3-[2-hydroxy-4,6-bis(phenylmethoxy)phenyl]-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol
CID 71251680
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
(2-ethoxyphenyl)-(3-methoxyphenyl)methanol
CID 62801888
1-(3-methoxyphenyl)-2-(methylamino)propan-1-ol
CID 82281926
(1R,2S)-1-(3-methoxyphenyl)-2-methylbut-3-en-1-ol
CID 139262042
methyl 2-[hydroxy-(3-methoxyphenyl)methyl]-3-methylbutanoate
CID 62394027

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol?
The IUPAC name of (1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol (CID 10714660) is (1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol.
What is the SMILES notation for (1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol?
The canonical SMILES for (1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol is COCOc1cc(OC)cc(OC)c1C[C@@H](O)[C@H](O)c1cccc(OC)c1.
What is the InChIKey of (1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol?
The InChIKey is DLKVYKRBXSMEDJ-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H26O7/c1-23-12-27-19-10-15(25-3)9-18(26-4)16(19)11-17(21)20(22)13-6-5-7-14(8-13)24-2/h5-10,17,20-22H,11-12H2,1-4H3/t17-,20-/m1/s1.
What are the key properties of (1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol?
(1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol has a molecular weight of 378.42 g/mol, XLogP of 2.33, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-3-[2,4-dimethoxy-6-(methoxymethoxy)phenyl]-1-(3-methoxyphenyl)propane-1,2-diol is sourced from PubChem (CID 10714660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).