1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene

C18H21BrO — CID 64747702

IUPAC1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene
SMILESCCC1CCC(Oc2ccc3ccccc3c2Br)CC1
InChIInChI=1S/C18H21BrO/c1-2-13-7-10-15(11-8-13)20-17-12-9-14-5-3-4-6-16(14)18(17)19/h3-6,9,12-13,15H,2,7-8,10-11H2,1H3
InChIKeyUBJKYCKQMCAJTL-UHFFFAOYSA-N
MW333.27 g/mol
LogP5.95
Rot. Bonds3

About 1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene

1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene (PubChem CID 64747702) has the molecular formula C18H21BrO and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene.

Molecular Properties

Compound Name1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene
PubChem CID64747702
Molecular FormulaC18H21BrO
Molecular Weight333.27 g/mol
Exact Mass332.08
IUPAC Name1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene
SMILESCCC1CCC(Oc2ccc3ccccc3c2Br)CC1
InChIInChI=1S/C18H21BrO/c1-2-13-7-10-15(11-8-13)20-17-12-9-14-5-3-4-6-16(14)18(17)19/h3-6,9,12-13,15H,2,7-8,10-11H2,1H3
InChIKeyUBJKYCKQMCAJTL-UHFFFAOYSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.27
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene
CID 64750095
1-(4-ethylcyclohexyl)oxy-2-iodobenzene
CID 64747905
trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol
CID 93462017
1-(4-ethylcyclohexyl)oxy-2-propan-2-ylbenzene
CID 64763669
[2-(4-ethylcyclohexyl)oxyphenyl]methanamine
CID 19627431
1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene
CID 66346237
3-(1-bromonaphthalen-2-yl)oxy-N-ethyl-2,2-dimethylcyclobutan-1-amine
CID 66352422
1-bromo-2-nonoxynaphthalene
CID 63529773
(1R)-1-[2-(4-ethylcyclohexyl)oxyphenyl]ethanamine
CID 78999303
[2-(4-methylcyclohexyl)oxynaphthalen-1-yl]methanol
CID 64748926
2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748532
4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748536

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene?
The IUPAC name of 1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene (CID 64747702) is 1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene.
What is the SMILES notation for 1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene?
The canonical SMILES for 1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene is CCC1CCC(Oc2ccc3ccccc3c2Br)CC1.
What is the InChIKey of 1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene?
The InChIKey is UBJKYCKQMCAJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrO/c1-2-13-7-10-15(11-8-13)20-17-12-9-14-5-3-4-6-16(14)18(17)19/h3-6,9,12-13,15H,2,7-8,10-11H2,1H3.
What are the key properties of 1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene?
1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene has a molecular weight of 333.27 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene is sourced from PubChem (CID 64747702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).