1-(diphenoxymethyl)-2-methoxynaphthalene

C24H20O3 — CID 140773856

IUPAC1-(diphenoxymethyl)-2-methoxynaphthalene
SMILESCOc1ccc2ccccc2c1C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C24H20O3/c1-25-22-17-16-18-10-8-9-15-21(18)23(22)24(26-19-11-4-2-5-12-19)27-20-13-6-3-7-14-20/h2-17,24H,1H3
InChIKeySTEBFCGFFOBRFS-UHFFFAOYSA-N
MW356.42 g/mol
LogP6.01
Rot. Bonds6

About 1-(diphenoxymethyl)-2-methoxynaphthalene

1-(diphenoxymethyl)-2-methoxynaphthalene (PubChem CID 140773856) has the molecular formula C24H20O3 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-(diphenoxymethyl)-2-methoxynaphthalene.

Molecular Properties

Compound Name1-(diphenoxymethyl)-2-methoxynaphthalene
PubChem CID140773856
Molecular FormulaC24H20O3
Molecular Weight356.42 g/mol
Exact Mass356.14
IUPAC Name1-(diphenoxymethyl)-2-methoxynaphthalene
SMILESCOc1ccc2ccccc2c1C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C24H20O3/c1-25-22-17-16-18-10-8-9-15-21(18)23(22)24(26-19-11-4-2-5-12-19)27-20-13-6-3-7-14-20/h2-17,24H,1H3
InChIKeySTEBFCGFFOBRFS-UHFFFAOYSA-N
XLogP6.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.42
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-1-(2-methoxynaphthalen-1-yl)ethanol
CID 79566432
3-acetyloxy-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 70817184
1-(2-methoxynaphthalen-1-yl)-3-methylbutan-1-ol
CID 63895549
(1S)-1-(2-methoxynaphthalen-1-yl)propane-1,3-diamine;hydrochloride
CID 171232538
3-amino-2-(2-methoxynaphthalen-1-yl)propanoic acid
CID 117364728
3-amino-3-(2-methoxynaphthalen-1-yl)propanoic acid
CID 16642007
(1S)-N-[(S)-(2-methoxynaphthalen-1-yl)-phenylmethyl]-1-phenylethanamine
CID 102334236
1-(2-methoxynaphthalen-1-yl)-N,N-dimethylethane-1,2-diamine
CID 43380372
(1R)-2,2,2-trifluoro-1-(2-methoxynaphthalen-1-yl)ethanamine;hydrochloride
CID 171243950
1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol
CID 65146073
2-(2-methoxynaphthalen-1-yl)-2-(methylamino)ethanol
CID 61055521
(1R)-1-(2-methoxynaphthalen-1-yl)-2-methylbutan-1-amine;hydrochloride
CID 171212960

Frequently Asked Questions

What is the IUPAC name of 1-(diphenoxymethyl)-2-methoxynaphthalene?
The IUPAC name of 1-(diphenoxymethyl)-2-methoxynaphthalene (CID 140773856) is 1-(diphenoxymethyl)-2-methoxynaphthalene.
What is the SMILES notation for 1-(diphenoxymethyl)-2-methoxynaphthalene?
The canonical SMILES for 1-(diphenoxymethyl)-2-methoxynaphthalene is COc1ccc2ccccc2c1C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of 1-(diphenoxymethyl)-2-methoxynaphthalene?
The InChIKey is STEBFCGFFOBRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O3/c1-25-22-17-16-18-10-8-9-15-21(18)23(22)24(26-19-11-4-2-5-12-19)27-20-13-6-3-7-14-20/h2-17,24H,1H3.
What are the key properties of 1-(diphenoxymethyl)-2-methoxynaphthalene?
1-(diphenoxymethyl)-2-methoxynaphthalene has a molecular weight of 356.42 g/mol, XLogP of 6.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diphenoxymethyl)-2-methoxynaphthalene is sourced from PubChem (CID 140773856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).