2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol

C16H16O3 — CID 141149297

IUPAC2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol
SMILESOc1c(CC2CO2)ccc2ccc(CC3CO3)cc12
InChIInChI=1S/C16H16O3/c17-16-12(7-14-9-19-14)4-3-11-2-1-10(6-15(11)16)5-13-8-18-13/h1-4,6,13-14,17H,5,7-9H2
InChIKeyVAFRJVUGQTZYSR-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.43
Rot. Bonds4

About 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol

2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol (PubChem CID 141149297) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol.

Molecular Properties

Compound Name2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol
PubChem CID141149297
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol
SMILESOc1c(CC2CO2)ccc2ccc(CC3CO3)cc12
InChIInChI=1S/C16H16O3/c17-16-12(7-14-9-19-14)4-3-11-2-1-10(6-15(11)16)5-13-8-18-13/h1-4,6,13-14,17H,5,7-9H2
InChIKeyVAFRJVUGQTZYSR-UHFFFAOYSA-N
XLogP2.43
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol?
The IUPAC name of 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol (CID 141149297) is 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol.
What is the SMILES notation for 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol?
The canonical SMILES for 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol is Oc1c(CC2CO2)ccc2ccc(CC3CO3)cc12.
What is the InChIKey of 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol?
The InChIKey is VAFRJVUGQTZYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-16-12(7-14-9-19-14)4-3-11-2-1-10(6-15(11)16)5-13-8-18-13/h1-4,6,13-14,17H,5,7-9H2.
What are the key properties of 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol?
2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol has a molecular weight of 256.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol is sourced from PubChem (CID 141149297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).