1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene

C20H16O2 — CID 135016241

IUPAC1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene
SMILESCOc1ccc(C#CCOc2cccc3ccccc23)cc1
InChIInChI=1S/C20H16O2/c1-21-18-13-11-16(12-14-18)6-5-15-22-20-10-4-8-17-7-2-3-9-19(17)20/h2-4,7-14H,15H2,1H3
InChIKeyUZQWDIWOCNXERG-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.28
Rot. Bonds3

About 1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene

1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene (PubChem CID 135016241) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene
PubChem CID135016241
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene
SMILESCOc1ccc(C#CCOc2cccc3ccccc23)cc1
InChIInChI=1S/C20H16O2/c1-21-18-13-11-16(12-14-18)6-5-15-22-20-10-4-8-17-7-2-3-9-19(17)20/h2-4,7-14H,15H2,1H3
InChIKeyUZQWDIWOCNXERG-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-3-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene
CID 165353497
1-(3-bromoprop-2-ynoxy)naphthalene
CID 12678022
4-naphthalen-1-yloxybut-2-yn-1-ol
CID 123667335
2-bromo-4-fluoro-1-[3-(4-methoxyphenyl)prop-2-ynoxy]benzene
CID 71697679
1-[(4-methoxyphenyl)methyl]-3-(3-naphthalen-1-yloxyprop-1-ynyl)indole-2-carboxylic acid
CID 25099971
6-methoxy-N-(4-naphthalen-1-yloxybut-2-ynyl)-1H-indole-2-carboxamide
CID 90578229
2-(3-methoxyphenoxy)-N-(4-naphthalen-1-yloxybut-2-ynyl)acetamide
CID 90578119
2-naphthalen-1-yloxyacetonitrile
CID 4123375
ethyl 1-[(4-methoxyphenyl)methyl]-3-(3-naphthalen-1-yloxyprop-1-ynyl)indole-2-carboxylate
CID 67317486
(1R)-1-[4-methoxy-2-(3-phenylprop-2-ynoxy)phenyl]ethanol
CID 82002752
naphthalen-1-yl 2-(4-methoxyphenoxy)acetate
CID 7913820
1-(4-methoxyphenyl)-2-naphthalen-1-yloxyethanone
CID 896643

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene?
The IUPAC name of 1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene (CID 135016241) is 1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene?
The canonical SMILES for 1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene is COc1ccc(C#CCOc2cccc3ccccc23)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene?
The InChIKey is UZQWDIWOCNXERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2/c1-21-18-13-11-16(12-14-18)6-5-15-22-20-10-4-8-17-7-2-3-9-19(17)20/h2-4,7-14H,15H2,1H3.
What are the key properties of 1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene?
1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene has a molecular weight of 288.35 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)prop-2-ynoxy]naphthalene is sourced from PubChem (CID 135016241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).