1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene

C16H16Br2O — CID 66346237

IUPAC1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene
SMILESCC1(C)C(Br)CC1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C16H16Br2O/c1-16(2)13(17)9-14(16)19-12-8-7-10-5-3-4-6-11(10)15(12)18/h3-8,13-14H,9H2,1-2H3
InChIKeyAVRQNBXBFGVCNT-UHFFFAOYSA-N
MW384.11 g/mol
LogP5.54
Rot. Bonds2

About 1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene

1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene (PubChem CID 66346237) has the molecular formula C16H16Br2O and a molecular weight of 384.11 g/mol. Its IUPAC name is 1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene.

Molecular Properties

Compound Name1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene
PubChem CID66346237
Molecular FormulaC16H16Br2O
Molecular Weight384.11 g/mol
Exact Mass381.96
IUPAC Name1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene
SMILESCC1(C)C(Br)CC1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C16H16Br2O/c1-16(2)13(17)9-14(16)19-12-8-7-10-5-3-4-6-11(10)15(12)18/h3-8,13-14H,9H2,1-2H3
InChIKeyAVRQNBXBFGVCNT-UHFFFAOYSA-N
XLogP5.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.11
LogP ≤ 55.54
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

3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66352422
(3-bromo-2,2-dimethylcyclobutyl)oxybenzene
CID 66346516
1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene
CID 64747702
4-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxy-1-chlorobenzene
CID 66345400
trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol
CID 93462017
2,2-dimethyl-3-naphthalen-1-yloxycyclobutan-1-one
CID 66368643
1-(3-chloro-2,2-dimethylcyclobutyl)oxynaphthalene
CID 66345692
2-(3-bromo-2,2-dimethylcyclobutyl)oxy-1,3-di(propan-2-yl)benzene
CID 66346241
3-(3-bromo-2,2-dimethylcyclobutyl)oxy-6-methyl-2-nitropyridine
CID 66344314
(2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-1,2-dicarboxylic acid
CID 118383737
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
2-[1-(1-bromonaphthalen-2-yl)oxycyclobutyl]acetic acid
CID 103272594

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene?
The IUPAC name of 1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene (CID 66346237) is 1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene.
What is the SMILES notation for 1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene?
The canonical SMILES for 1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene is CC1(C)C(Br)CC1Oc1ccc2ccccc2c1Br.
What is the InChIKey of 1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene?
The InChIKey is AVRQNBXBFGVCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Br2O/c1-16(2)13(17)9-14(16)19-12-8-7-10-5-3-4-6-11(10)15(12)18/h3-8,13-14H,9H2,1-2H3.
What are the key properties of 1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene?
1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene has a molecular weight of 384.11 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene is sourced from PubChem (CID 66346237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).