trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol

C16H17BrO2 — CID 93462017

IUPACtrans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C16H17BrO2/c17-16-12-6-2-1-5-11(12)9-10-15(16)19-14-8-4-3-7-13(14)18/h1-2,5-6,9-10,13-14,18H,3-4,7-8H2/t13-,14-/m1/s1
InChIKeyVJTCONWJLXJUCI-ZIAGYGMSSA-N
MW321.21 g/mol
LogP4.28
Rot. Bonds2

About trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol

trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol (PubChem CID 93462017) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol
PubChem CID93462017
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Nametrans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Oc1ccc2ccccc2c1Br
InChIInChI=1S/C16H17BrO2/c17-16-12-6-2-1-5-11(12)9-10-15(16)19-14-8-4-3-7-13(14)18/h1-2,5-6,9-10,13-14,18H,3-4,7-8H2/t13-,14-/m1/s1
InChIKeyVJTCONWJLXJUCI-ZIAGYGMSSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269
2-[1-(methylaminomethyl)naphthalen-2-yl]oxycyclopentan-1-ol
CID 60889614
2-(2-bromophenoxy)cyclooctan-1-ol
CID 22247716
3-(2-hydroxycyclohexyl)oxynaphthalene-2-carboxylic acid
CID 60885040
1-bromo-2-(4-ethylcyclohexyl)oxynaphthalene
CID 64747702
2-[2-(1-aminoethyl)naphthalen-1-yl]oxycyclohexan-1-ol
CID 60889031
2-(2-benzofuran-1-yloxy)cyclopentan-1-ol
CID 172549938
trans-(1S,2S)-2-(2-ethylphenoxy)cyclohexan-1-ol
CID 102732480
2-(2-ethoxyphenoxy)cyclohexan-1-ol
CID 60878019
trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol
CID 102732484
1-bromo-2-(3-bromo-2,2-dimethylcyclobutyl)oxynaphthalene
CID 66346237
N-[2-(1-bromonaphthalen-2-yl)oxyethyl]cyclopentanamine;oxalic acid
CID 2949268

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol (CID 93462017) is trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Oc1ccc2ccccc2c1Br.
What is the InChIKey of trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol?
The InChIKey is VJTCONWJLXJUCI-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H17BrO2/c17-16-12-6-2-1-5-11(12)9-10-15(16)19-14-8-4-3-7-13(14)18/h1-2,5-6,9-10,13-14,18H,3-4,7-8H2/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol?
trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol has a molecular weight of 321.21 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1-bromonaphthalen-2-yl)oxycyclohexan-1-ol is sourced from PubChem (CID 93462017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).