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

Etofenprox
CID 71245
2-Ethoxynaphthalene
CID 7129
2-(2-Methylpropoxy)naphthalene
CID 16582
Benzyl 2-naphthyl ether
CID 123080
Butyl beta-naphthyl ether
CID 82664
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
2,7-Dimethoxynaphthalene
CID 77021
Benzo(kl)xanthene
CID 67456
(R)-(+)-2'-Methoxy-(1,1'-binaphthalen)-2-ol
CID 318597
Naphthalene, 1-(phenylmethoxy)-
CID 136404
3-(5'-{[3,4-Bis(Hydroxymethyl)benzyl]oxy}-2'-Ethyl-2-Propylbiphenyl-4-Yl)pentan-3-Ol
CID 10174128
4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-tetrahydro-pyran
CID 15637380

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).