2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene

C29H30O2 — CID 153279846

IUPAC2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene
SMILESCCC1CC(C(COc2ccc3ccccc3c2)COc2ccc3ccccc3c2)C1
InChIInChI=1S/C29H30O2/c1-2-21-15-26(16-21)27(19-30-28-13-11-22-7-3-5-9-24(22)17-28)20-31-29-14-12-23-8-4-6-10-25(23)18-29/h3-14,17-18,21,26-27H,2,15-16,19-20H2,1H3
InChIKeyUYIIPYOTHZYEDL-UHFFFAOYSA-N
MW410.56 g/mol
LogP7.50
Rot. Bonds8

About 2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene

2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene (PubChem CID 153279846) has the molecular formula C29H30O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene.

Molecular Properties

Compound Name2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene
PubChem CID153279846
Molecular FormulaC29H30O2
Molecular Weight410.56 g/mol
Exact Mass410.22
IUPAC Name2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene
SMILESCCC1CC(C(COc2ccc3ccccc3c2)COc2ccc3ccccc3c2)C1
InChIInChI=1S/C29H30O2/c1-2-21-15-26(16-21)27(19-30-28-13-11-22-7-3-5-9-24(22)17-28)20-31-29-14-12-23-8-4-6-10-25(23)18-29/h3-14,17-18,21,26-27H,2,15-16,19-20H2,1H3
InChIKeyUYIIPYOTHZYEDL-UHFFFAOYSA-N
XLogP7.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-methylcyclopentyl)-3-naphthalen-2-yloxypropoxy]naphthalene
CID 146263241
N,N-dimethyl-1-naphthalen-2-yloxypropan-2-amine
CID 4189894
2-ethoxynaphthalene
CID 118978197
1-naphthalen-2-yloxypropan-2-ol
CID 2793897
1-cyclohexyl-N-methyl-2-naphthalen-2-yloxyethanamine
CID 104748601
2-(2-methoxypropoxy)naphthalene
CID 155439775
N-methyl-1-naphthalen-2-yloxybutan-2-amine
CID 62041246
(2R)-1-(methylamino)-3-naphthalen-2-yloxypropan-2-ol
CID 1132897
ethoxyethane;2-ethoxynaphthalene
CID 118982387
1-[cyclobutyl(methyl)amino]-3-naphthalen-2-yloxypropan-2-ol
CID 111488940
2-[2-(4-methoxyphenoxy)propoxy]naphthalene
CID 86155874
N,2-dimethyl-3-naphthalen-2-yloxypropan-1-amine
CID 62459950

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene?
The IUPAC name of 2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene (CID 153279846) is 2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene.
What is the SMILES notation for 2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene?
The canonical SMILES for 2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene is CCC1CC(C(COc2ccc3ccccc3c2)COc2ccc3ccccc3c2)C1.
What is the InChIKey of 2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene?
The InChIKey is UYIIPYOTHZYEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O2/c1-2-21-15-26(16-21)27(19-30-28-13-11-22-7-3-5-9-24(22)17-28)20-31-29-14-12-23-8-4-6-10-25(23)18-29/h3-14,17-18,21,26-27H,2,15-16,19-20H2,1H3.
What are the key properties of 2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene?
2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene has a molecular weight of 410.56 g/mol, XLogP of 7.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-ethylcyclobutyl)-3-naphthalen-2-yloxypropoxy]naphthalene is sourced from PubChem (CID 153279846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).