1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol

C20H26O5 — CID 58480139

IUPAC1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(C(O)(c2ccc(CO)c(CO)c2)C(C)C)cc1OC
InChIInChI=1S/C20H26O5/c1-13(2)20(23,16-6-5-14(11-21)15(9-16)12-22)17-7-8-18(24-3)19(10-17)25-4/h5-10,13,21-23H,11-12H2,1-4H3
InChIKeyGJHWTZRCFBQULA-UHFFFAOYSA-N
MW346.42 g/mol
LogP2.58
Rot. Bonds7

About 1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol

1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol (PubChem CID 58480139) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is 1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol
PubChem CID58480139
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1ccc(C(O)(c2ccc(CO)c(CO)c2)C(C)C)cc1OC
InChIInChI=1S/C20H26O5/c1-13(2)20(23,16-6-5-14(11-21)15(9-16)12-22)17-7-8-18(24-3)19(10-17)25-4/h5-10,13,21-23H,11-12H2,1-4H3
InChIKeyGJHWTZRCFBQULA-UHFFFAOYSA-N
XLogP2.58
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dimethoxyphenyl)-1-[4-(hydroxymethyl)-3-methoxyphenyl]-2-methylpropan-1-ol
CID 58480144
2-(3,4-dimethoxyphenyl)-3,3-dimethylbutan-2-ol
CID 113302772
1,1-bis(3,4-dimethoxyphenyl)prop-2-yn-1-ol
CID 20771267
1-[4-(hydroxymethyl)phenyl]-1-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 58480145
2-(3,4-dimethoxyphenyl)-2,4-dimethylpentanoic acid
CID 112519730
2-(3,4-dimethoxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 118535888
1-(3,4-dimethoxyphenyl)-3-[4-(hydroxymethyl)-3-methoxyphenyl]propane-1,3-dione
CID 70880614
2-(3,4-dimethoxyphenyl)-5-hydroxy-2-propan-2-ylpentanenitrile;ethane
CID 145475505
2-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(methylamino)propyl]propanamide
CID 120832492
N-[(2R)-3-(3,4-dimethoxyphenyl)-3-methylbutan-2-yl]acetamide
CID 125463917
1-(5-tert-butyl-2-methoxyphenyl)propan-2-ol
CID 117318705
(2-ethyl-4,5-dimethoxyphenyl)methanol
CID 14094580

Frequently Asked Questions

What is the IUPAC name of 1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol (CID 58480139) is 1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol is COc1ccc(C(O)(c2ccc(CO)c(CO)c2)C(C)C)cc1OC.
What is the InChIKey of 1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is GJHWTZRCFBQULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-13(2)20(23,16-6-5-14(11-21)15(9-16)12-22)17-7-8-18(24-3)19(10-17)25-4/h5-10,13,21-23H,11-12H2,1-4H3.
What are the key properties of 1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol?
1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 346.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,4-bis(hydroxymethyl)phenyl]-1-(3,4-dimethoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 58480139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).