4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane

C23H24O3 — CID 14985899

IUPAC4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane
SMILESCOC1(c2ccc(OCc3ccc4ccccc4c3)cc2)CCOCC1
InChIInChI=1S/C23H24O3/c1-24-23(12-14-25-15-13-23)21-8-10-22(11-9-21)26-17-18-6-7-19-4-2-3-5-20(19)16-18/h2-11,16H,12-15,17H2,1H3
InChIKeyDJPDYAKQXYDSIT-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.07
Rot. Bonds5

About 4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane

4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane (PubChem CID 14985899) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane.

Molecular Properties

Compound Name4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane
PubChem CID14985899
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane
SMILESCOC1(c2ccc(OCc3ccc4ccccc4c3)cc2)CCOCC1
InChIInChI=1S/C23H24O3/c1-24-23(12-14-25-15-13-23)21-8-10-22(11-9-21)26-17-18-6-7-19-4-2-3-5-20(19)16-18/h2-11,16H,12-15,17H2,1H3
InChIKeyDJPDYAKQXYDSIT-UHFFFAOYSA-N
XLogP5.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane?
The IUPAC name of 4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane (CID 14985899) is 4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane.
What is the SMILES notation for 4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane?
The canonical SMILES for 4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane is COC1(c2ccc(OCc3ccc4ccccc4c3)cc2)CCOCC1.
What is the InChIKey of 4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane?
The InChIKey is DJPDYAKQXYDSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-24-23(12-14-25-15-13-23)21-8-10-22(11-9-21)26-17-18-6-7-19-4-2-3-5-20(19)16-18/h2-11,16H,12-15,17H2,1H3.
What are the key properties of 4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane?
4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane has a molecular weight of 348.44 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane is sourced from PubChem (CID 14985899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).