[3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol

C20H26O5 — CID 11847802

IUPAC[3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol
SMILESCOc1c(CO)cc(C)cc1COCc1cc(C)cc(CO)c1OC
InChIInChI=1S/C20H26O5/c1-13-5-15(9-21)19(23-3)17(7-13)11-25-12-18-8-14(2)6-16(10-22)20(18)24-4/h5-8,21-22H,9-12H2,1-4H3
InChIKeyMAMKMHDZLLYKMV-UHFFFAOYSA-N
MW346.42 g/mol
LogP3.02
Rot. Bonds8

About [3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol

[3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol (PubChem CID 11847802) has the molecular formula C20H26O5 and a molecular weight of 346.42 g/mol. Its IUPAC name is [3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol.

Molecular Properties

Compound Name[3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol
PubChem CID11847802
Molecular FormulaC20H26O5
Molecular Weight346.42 g/mol
Exact Mass346.18
IUPAC Name[3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol
SMILESCOc1c(CO)cc(C)cc1COCc1cc(C)cc(CO)c1OC
InChIInChI=1S/C20H26O5/c1-13-5-15(9-21)19(23-3)17(7-13)11-25-12-18-8-14(2)6-16(10-22)20(18)24-4/h5-8,21-22H,9-12H2,1-4H3
InChIKeyMAMKMHDZLLYKMV-UHFFFAOYSA-N
XLogP3.02
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol?
The IUPAC name of [3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol (CID 11847802) is [3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol.
What is the SMILES notation for [3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol?
The canonical SMILES for [3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol is COc1c(CO)cc(C)cc1COCc1cc(C)cc(CO)c1OC.
What is the InChIKey of [3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol?
The InChIKey is MAMKMHDZLLYKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O5/c1-13-5-15(9-21)19(23-3)17(7-13)11-25-12-18-8-14(2)6-16(10-22)20(18)24-4/h5-8,21-22H,9-12H2,1-4H3.
What are the key properties of [3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol?
[3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol has a molecular weight of 346.42 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(hydroxymethyl)-2-methoxy-5-methylphenyl]methoxymethyl]-2-methoxy-5-methylphenyl]methanol is sourced from PubChem (CID 11847802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).