2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol

C16H20O6 — CID 70503529

IUPAC2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol
SMILESCOc1cc(CO)cc(CO)c1O.COc1ccccc1O
InChIInChI=1S/C9H12O4.C7H8O2/c1-13-8-3-6(4-10)2-7(5-11)9(8)12;1-9-7-5-3-2-4-6(7)8/h2-3,10-12H,4-5H2,1H3;2-5,8H,1H3
InChIKeyLVJIENFVHLALRW-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.79
Rot. Bonds4

About 2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol

2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol (PubChem CID 70503529) has the molecular formula C16H20O6 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol.

Molecular Properties

Compound Name2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol
PubChem CID70503529
Molecular FormulaC16H20O6
Molecular Weight308.33 g/mol
Exact Mass308.13
IUPAC Name2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol
SMILESCOc1cc(CO)cc(CO)c1O.COc1ccccc1O
InChIInChI=1S/C9H12O4.C7H8O2/c1-13-8-3-6(4-10)2-7(5-11)9(8)12;1-9-7-5-3-2-4-6(7)8/h2-3,10-12H,4-5H2,1H3;2-5,8H,1H3
InChIKeyLVJIENFVHLALRW-UHFFFAOYSA-N
XLogP1.79
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 162036765
azane;2-methoxyphenol
CID 172717837
4-[(E)-4-(4-hydroxy-3-methoxyphenyl)but-2-enyl]-2-(hydroxymethyl)phenol
CID 122643932
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-methoxyphenol;molecular bromine
CID 141484212
methanethiol;2-methoxyphenol
CID 141484211
CID 174763347
CID 174763347
2-methoxy-4-[(2-methoxyphenoxy)methyl]phenol
CID 71421092
2-[[2-hydroxy-3,5-bis(hydroxymethyl)phenyl]methyl]-4,6-bis(hydroxymethyl)phenol
CID 18671164
formonitrile;2-methoxyphenol
CID 161059546
4-(hydroxymethyl)-2-methoxy-5-methylphenol
CID 15340173
4-(hydroxymethyl)-2,6-dimethoxybenzene-1,3-diol
CID 149144682

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol?
The IUPAC name of 2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol (CID 70503529) is 2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol.
What is the SMILES notation for 2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol?
The canonical SMILES for 2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol is COc1cc(CO)cc(CO)c1O.COc1ccccc1O.
What is the InChIKey of 2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol?
The InChIKey is LVJIENFVHLALRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O4.C7H8O2/c1-13-8-3-6(4-10)2-7(5-11)9(8)12;1-9-7-5-3-2-4-6(7)8/h2-3,10-12H,4-5H2,1H3;2-5,8H,1H3.
What are the key properties of 2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol?
2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol has a molecular weight of 308.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(hydroxymethyl)-6-methoxyphenol;2-methoxyphenol is sourced from PubChem (CID 70503529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).