[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol

C25H24O5 — CID 101158324

IUPAC[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol
SMILESCOCOc1ccc2ccccc2c1-c1c(OCOC)ccc2cc(CO)ccc12
InChIInChI=1S/C25H24O5/c1-27-15-29-22-11-8-18-5-3-4-6-20(18)24(22)25-21-10-7-17(14-26)13-19(21)9-12-23(25)30-16-28-2/h3-13,26H,14-16H2,1-2H3
InChIKeyXAIWMRVFUKWSMO-UHFFFAOYSA-N
MW404.46 g/mol
LogP5.12
Rot. Bonds8

About [6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol

[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol (PubChem CID 101158324) has the molecular formula C25H24O5 and a molecular weight of 404.46 g/mol. Its IUPAC name is [6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol
PubChem CID101158324
Molecular FormulaC25H24O5
Molecular Weight404.46 g/mol
Exact Mass404.16
IUPAC Name[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol
SMILESCOCOc1ccc2ccccc2c1-c1c(OCOC)ccc2cc(CO)ccc12
InChIInChI=1S/C25H24O5/c1-27-15-29-22-11-8-18-5-3-4-6-20(18)24(22)25-21-10-7-17(14-26)13-19(21)9-12-23(25)30-16-28-2/h3-13,26H,14-16H2,1-2H3
InChIKeyXAIWMRVFUKWSMO-UHFFFAOYSA-N
XLogP5.12
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.46
LogP ≤ 55.12
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

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Frequently Asked Questions

What is the IUPAC name of [6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol?
The IUPAC name of [6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol (CID 101158324) is [6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol.
What is the SMILES notation for [6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol?
The canonical SMILES for [6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol is COCOc1ccc2ccccc2c1-c1c(OCOC)ccc2cc(CO)ccc12.
What is the InChIKey of [6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol?
The InChIKey is XAIWMRVFUKWSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O5/c1-27-15-29-22-11-8-18-5-3-4-6-20(18)24(22)25-21-10-7-17(14-26)13-19(21)9-12-23(25)30-16-28-2/h3-13,26H,14-16H2,1-2H3.
What are the key properties of [6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol?
[6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol has a molecular weight of 404.46 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(methoxymethoxy)-5-[2-(methoxymethoxy)naphthalen-1-yl]naphthalen-2-yl]methanol is sourced from PubChem (CID 101158324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).