(1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol

C15H21BrO3 — CID 78958654

IUPAC(1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol
SMILESCOC1CCCC(Oc2ccc(Br)cc2[C@H](C)O)C1
InChIInChI=1S/C15H21BrO3/c1-10(17)14-8-11(16)6-7-15(14)19-13-5-3-4-12(9-13)18-2/h6-8,10,12-13,17H,3-5,9H2,1-2H3/t10-,12?,13?/m0/s1
InChIKeyVVFBVNNXRMXCAF-PKSQDBQZSA-N
MW329.23 g/mol
LogP3.84
Rot. Bonds4

About (1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol

(1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol (PubChem CID 78958654) has the molecular formula C15H21BrO3 and a molecular weight of 329.23 g/mol. Its IUPAC name is (1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol
PubChem CID78958654
Molecular FormulaC15H21BrO3
Molecular Weight329.23 g/mol
Exact Mass328.07
IUPAC Name(1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol
SMILESCOC1CCCC(Oc2ccc(Br)cc2[C@H](C)O)C1
InChIInChI=1S/C15H21BrO3/c1-10(17)14-8-11(16)6-7-15(14)19-13-5-3-4-12(9-13)18-2/h6-8,10,12-13,17H,3-5,9H2,1-2H3/t10-,12?,13?/m0/s1
InChIKeyVVFBVNNXRMXCAF-PKSQDBQZSA-N
XLogP3.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-[2-(3-methoxycyclohexyl)oxyphenyl]ethanol
CID 78958662
(1S)-1-[4-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanamine
CID 102946940
(1S)-1-(5-bromo-2-cycloheptyloxyphenyl)ethanamine
CID 82926734
1-(5-bromo-2-cyclohexyloxyphenyl)ethanamine
CID 62369537
1-(5-bromo-2-cyclobutyloxyphenyl)-N-methylethanamine
CID 82976387
1-(3-methoxycyclohexyl)oxy-2-propan-2-ylbenzene
CID 64764405
1-(5-bromo-2-cycloheptyloxyphenyl)-N-methylethanamine
CID 82926596
(1S)-1-(2-cycloheptyloxy-5-fluorophenyl)ethanol
CID 82929051
3-(5-bromo-2-cyclobutyloxyphenyl)butanal
CID 117478597
4-(4-bromo-2-propan-2-ylphenoxy)azepane
CID 113303037
(1S)-1-(5-chloro-2-cyclopropyloxyphenyl)ethanol
CID 130562903
1-(5-bromo-2-cyclopropyloxyphenyl)-2-(methylamino)ethanol
CID 117460897

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol?
The IUPAC name of (1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol (CID 78958654) is (1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol?
The canonical SMILES for (1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol is COC1CCCC(Oc2ccc(Br)cc2[C@H](C)O)C1.
What is the InChIKey of (1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol?
The InChIKey is VVFBVNNXRMXCAF-PKSQDBQZSA-N. The full InChI is InChI=1S/C15H21BrO3/c1-10(17)14-8-11(16)6-7-15(14)19-13-5-3-4-12(9-13)18-2/h6-8,10,12-13,17H,3-5,9H2,1-2H3/t10-,12?,13?/m0/s1.
What are the key properties of (1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol?
(1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol has a molecular weight of 329.23 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-bromo-2-(3-methoxycyclohexyl)oxyphenyl]ethanol is sourced from PubChem (CID 78958654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).