4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane

C23H24O3 — CID 10427847

IUPAC4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane
SMILESCOC1(c2cccc(COc3ccc4ccccc4c3)c2)CCOCC1
InChIInChI=1S/C23H24O3/c1-24-23(11-13-25-14-12-23)21-8-4-5-18(15-21)17-26-22-10-9-19-6-2-3-7-20(19)16-22/h2-10,15-16H,11-14,17H2,1H3
InChIKeyICZDCNYKCROKCL-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.07
Rot. Bonds5

About 4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane

4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane (PubChem CID 10427847) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane.

Molecular Properties

Compound Name4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane
PubChem CID10427847
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane
SMILESCOC1(c2cccc(COc3ccc4ccccc4c3)c2)CCOCC1
InChIInChI=1S/C23H24O3/c1-24-23(11-13-25-14-12-23)21-8-4-5-18(15-21)17-26-22-10-9-19-6-2-3-7-20(19)16-22/h2-10,15-16H,11-14,17H2,1H3
InChIKeyICZDCNYKCROKCL-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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Related Compounds

4-methoxy-4-[4-(naphthalen-2-ylmethoxy)phenyl]oxane
CID 14985899
7-[[3-(4-methoxyoxan-4-yl)phenyl]methoxy]imidazo[1,2-a]quinoline
CID 24876307
2-[[3-(1,4-dimethoxy-4-methylcyclohexyl)phenoxy]methyl]naphthalene
CID 19899554
4-methoxy-4-[3-(naphthalen-2-ylmethoxy)phenyl]cyclohexan-1-ol
CID 19899551
4-methoxy-4-phenyloxane
CID 21049814
N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]-N-(2-phenylmethoxyphenyl)methanesulfonamide
CID 53324810
(1S,3S,5R)-3-methoxy-3-[3-(naphthalen-2-ylmethoxy)phenyl]-6,8-dioxabicyclo[3.2.1]octane
CID 154446949
4-[3-[(6-ethyl-8-phenylnaphthalen-2-yl)oxymethyl]phenyl]oxan-4-ol
CID 10527001
2-[2-[[3-(4-methoxyoxan-4-yl)phenyl]methoxy]-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 22246253
N-(4-chloro-2-phenylmethoxyphenyl)-N-[[3-(4-methoxyoxan-4-yl)phenyl]methyl]methanesulfonamide
CID 53322985
4-[3-(6-bromonaphthalen-2-yl)sulfanylphenyl]-4-methoxyoxane
CID 19764786
1-[3-[[3-fluoro-5-(4-methoxyoxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole
CID 18920194

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane?
The IUPAC name of 4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane (CID 10427847) is 4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane.
What is the SMILES notation for 4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane?
The canonical SMILES for 4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane is COC1(c2cccc(COc3ccc4ccccc4c3)c2)CCOCC1.
What is the InChIKey of 4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane?
The InChIKey is ICZDCNYKCROKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-24-23(11-13-25-14-12-23)21-8-4-5-18(15-21)17-26-22-10-9-19-6-2-3-7-20(19)16-22/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of 4-methoxy-4-[3-(naphthalen-2-yloxymethyl)phenyl]oxane?
4-methoxy-4-[3-(naphthalen-2-yloxymethyl)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-[3-(naphthalen-2-yloxymethyl)phenyl]oxane is sourced from PubChem (CID 10427847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).