(3,4,5-trimethoxyphenyl)methoxymethanol

C11H16O5 — CID 167081635

IUPAC(3,4,5-trimethoxyphenyl)methoxymethanol
SMILESCOc1cc(COCO)cc(OC)c1OC
InChIInChI=1S/C11H16O5/c1-13-9-4-8(6-16-7-12)5-10(14-2)11(9)15-3/h4-5,12H,6-7H2,1-3H3
InChIKeyUQVJHFWJBZOWAT-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.18
Rot. Bonds6

About (3,4,5-trimethoxyphenyl)methoxymethanol

(3,4,5-trimethoxyphenyl)methoxymethanol (PubChem CID 167081635) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is (3,4,5-trimethoxyphenyl)methoxymethanol.

Molecular Properties

Compound Name(3,4,5-trimethoxyphenyl)methoxymethanol
PubChem CID167081635
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name(3,4,5-trimethoxyphenyl)methoxymethanol
SMILESCOc1cc(COCO)cc(OC)c1OC
InChIInChI=1S/C11H16O5/c1-13-9-4-8(6-16-7-12)5-10(14-2)11(9)15-3/h4-5,12H,6-7H2,1-3H3
InChIKeyUQVJHFWJBZOWAT-UHFFFAOYSA-N
XLogP1.18
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-1,4-bis[(3,4,5-trimethoxyphenyl)methoxy]butane-2,3-diol
CID 175639700
(3,4-dimethoxyphenyl)methoxymethanol
CID 69007274
5-(hexoxymethyl)-1,2,3-trimethoxybenzene
CID 54336542
2,3-dimethyl-1,4-bis(3,4,5-trimethoxyphenyl)butane-2,3-diol
CID 10939314
5-[(3,4,5-trimethoxyphenyl)methoxy]pentan-1-amine
CID 82353691
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
1,2,3-trimethoxy-5-[(3,4,5-trimethoxyphenyl)methoxymethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]benzene
CID 15638734
2-ethyl-2-[(3,4,5-trimethoxyphenyl)methyl]butanoic acid
CID 82111127
[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
CID 115229222
2-methyl-4-[(3,4,5-trimethoxyphenyl)methoxymethyl]benzoic acid
CID 70358433
1-methyl-4-[2-[(3,4,5-trimethoxyphenyl)methoxy]ethyl]piperazine
CID 134105359
triphenyl-[(3,4,5-trimethoxyphenyl)methoxy]silane
CID 71329016

Frequently Asked Questions

What is the IUPAC name of (3,4,5-trimethoxyphenyl)methoxymethanol?
The IUPAC name of (3,4,5-trimethoxyphenyl)methoxymethanol (CID 167081635) is (3,4,5-trimethoxyphenyl)methoxymethanol.
What is the SMILES notation for (3,4,5-trimethoxyphenyl)methoxymethanol?
The canonical SMILES for (3,4,5-trimethoxyphenyl)methoxymethanol is COc1cc(COCO)cc(OC)c1OC.
What is the InChIKey of (3,4,5-trimethoxyphenyl)methoxymethanol?
The InChIKey is UQVJHFWJBZOWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O5/c1-13-9-4-8(6-16-7-12)5-10(14-2)11(9)15-3/h4-5,12H,6-7H2,1-3H3.
What are the key properties of (3,4,5-trimethoxyphenyl)methoxymethanol?
(3,4,5-trimethoxyphenyl)methoxymethanol has a molecular weight of 228.24 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trimethoxyphenyl)methoxymethanol is sourced from PubChem (CID 167081635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).