[3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol

C18H22O6 — CID 3236060

IUPAC[3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol
SMILESCOc1cc(CO)cc(-c2cc(CO)cc(OC)c2OC)c1OC
InChIInChI=1S/C18H22O6/c1-21-15-7-11(9-19)5-13(17(15)23-3)14-6-12(10-20)8-16(22-2)18(14)24-4/h5-8,19-20H,9-10H2,1-4H3
InChIKeyJTWMBPWZXQWMPH-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.37
Rot. Bonds7

About [3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol

[3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol (PubChem CID 3236060) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is [3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol
PubChem CID3236060
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name[3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol
SMILESCOc1cc(CO)cc(-c2cc(CO)cc(OC)c2OC)c1OC
InChIInChI=1S/C18H22O6/c1-21-15-7-11(9-19)5-13(17(15)23-3)14-6-12(10-20)8-16(22-2)18(14)24-4/h5-8,19-20H,9-10H2,1-4H3
InChIKeyJTWMBPWZXQWMPH-UHFFFAOYSA-N
XLogP2.37
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol?
The IUPAC name of [3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol (CID 3236060) is [3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol.
What is the SMILES notation for [3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol?
The canonical SMILES for [3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol is COc1cc(CO)cc(-c2cc(CO)cc(OC)c2OC)c1OC.
What is the InChIKey of [3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol?
The InChIKey is JTWMBPWZXQWMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O6/c1-21-15-7-11(9-19)5-13(17(15)23-3)14-6-12(10-20)8-16(22-2)18(14)24-4/h5-8,19-20H,9-10H2,1-4H3.
What are the key properties of [3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol?
[3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol has a molecular weight of 334.37 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-(hydroxymethyl)-2,3-dimethoxyphenyl]-4,5-dimethoxyphenyl]methanol is sourced from PubChem (CID 3236060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).