[3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol

C18H22O6 — CID 19812670

IUPAC[3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol
SMILESCOCOc1ccccc1C(O)c1cccc(OC)c1OCOC
InChIInChI=1S/C18H22O6/c1-20-11-23-15-9-5-4-7-13(15)17(19)14-8-6-10-16(22-3)18(14)24-12-21-2/h4-10,17,19H,11-12H2,1-3H3
InChIKeyZDFWIUOUBSNRLI-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.74
Rot. Bonds9

About [3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol

[3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol (PubChem CID 19812670) has the molecular formula C18H22O6 and a molecular weight of 334.37 g/mol. Its IUPAC name is [3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol
PubChem CID19812670
Molecular FormulaC18H22O6
Molecular Weight334.37 g/mol
Exact Mass334.14
IUPAC Name[3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol
SMILESCOCOc1ccccc1C(O)c1cccc(OC)c1OCOC
InChIInChI=1S/C18H22O6/c1-20-11-23-15-9-5-4-7-13(15)17(19)14-8-6-10-16(22-3)18(14)24-12-21-2/h4-10,17,19H,11-12H2,1-3H3
InChIKeyZDFWIUOUBSNRLI-UHFFFAOYSA-N
XLogP2.74
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol?
The IUPAC name of [3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol (CID 19812670) is [3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol.
What is the SMILES notation for [3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol?
The canonical SMILES for [3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol is COCOc1ccccc1C(O)c1cccc(OC)c1OCOC.
What is the InChIKey of [3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol?
The InChIKey is ZDFWIUOUBSNRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O6/c1-20-11-23-15-9-5-4-7-13(15)17(19)14-8-6-10-16(22-3)18(14)24-12-21-2/h4-10,17,19H,11-12H2,1-3H3.
What are the key properties of [3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol?
[3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol has a molecular weight of 334.37 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(methoxymethoxy)phenyl]-[2-(methoxymethoxy)phenyl]methanol is sourced from PubChem (CID 19812670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).