2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene

C18H21BrO — CID 66345277

IUPAC2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene
SMILESCCC1(CC)C(Br)CC1Oc1ccc2ccccc2c1
InChIInChI=1S/C18H21BrO/c1-3-18(4-2)16(19)12-17(18)20-15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17H,3-4,12H2,1-2H3
InChIKeyJWWKFGQUYVPUNP-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.56
Rot. Bonds4

About 2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene

2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene (PubChem CID 66345277) has the molecular formula C18H21BrO and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene.

Molecular Properties

Compound Name2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene
PubChem CID66345277
Molecular FormulaC18H21BrO
Molecular Weight333.27 g/mol
Exact Mass332.08
IUPAC Name2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene
SMILESCCC1(CC)C(Br)CC1Oc1ccc2ccccc2c1
InChIInChI=1S/C18H21BrO/c1-3-18(4-2)16(19)12-17(18)20-15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17H,3-4,12H2,1-2H3
InChIKeyJWWKFGQUYVPUNP-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-2,2-diethylcyclobutyl)oxy-3-tert-butylbenzene
CID 66343661
1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-methylbenzene
CID 66345059
2-(3-bromo-2-propoxycyclobutyl)oxynaphthalene
CID 107942742
3-naphthalen-2-yloxyspiro[3.4]octan-1-amine
CID 66358347
(3R,5S)-3-ethyl-5-naphthalen-2-yloxyoxolan-2-one
CID 100965743
4-bromo-1-(3-bromo-2,2-diethylcyclobutyl)oxy-2-nitrobenzene
CID 66344134
2-(3-bromo-2,2-diethylcyclobutyl)oxy-4-chloro-1-nitrobenzene
CID 66344119
2,2-diethyl-3-(3-methoxyphenoxy)cyclobutan-1-ol
CID 66367495
3-naphthalen-2-yloxy-2-propoxycyclobutan-1-amine
CID 107943277
2,2-diethyl-3-(3-methylphenoxy)cyclobutan-1-ol
CID 66367084
1-(3-bromo-2,2-diethylcyclobutyl)oxy-4-fluoro-2-nitrobenzene
CID 66343915
2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene
CID 107942743

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene?
The IUPAC name of 2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene (CID 66345277) is 2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene.
What is the SMILES notation for 2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene?
The canonical SMILES for 2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene is CCC1(CC)C(Br)CC1Oc1ccc2ccccc2c1.
What is the InChIKey of 2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene?
The InChIKey is JWWKFGQUYVPUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO/c1-3-18(4-2)16(19)12-17(18)20-15-10-9-13-7-5-6-8-14(13)11-15/h5-11,16-17H,3-4,12H2,1-2H3.
What are the key properties of 2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene?
2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene has a molecular weight of 333.27 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2,2-diethylcyclobutyl)oxynaphthalene is sourced from PubChem (CID 66345277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).