(1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol

C16H23BrO2 — CID 102948860

IUPAC(1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol
SMILESCCC1CCCCC1Oc1cc(Br)ccc1[C@@H](C)O
InChIInChI=1S/C16H23BrO2/c1-3-12-6-4-5-7-15(12)19-16-10-13(17)8-9-14(16)11(2)18/h8-12,15,18H,3-7H2,1-2H3/t11-,12?,15?/m1/s1
InChIKeyIOSHHVCOBYHIKR-XIKARTHZSA-N
MW327.26 g/mol
LogP4.85
Rot. Bonds4

About (1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol

(1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol (PubChem CID 102948860) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is (1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol
PubChem CID102948860
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name(1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol
SMILESCCC1CCCCC1Oc1cc(Br)ccc1[C@@H](C)O
InChIInChI=1S/C16H23BrO2/c1-3-12-6-4-5-7-15(12)19-16-10-13(17)8-9-14(16)11(2)18/h8-12,15,18H,3-7H2,1-2H3/t11-,12?,15?/m1/s1
InChIKeyIOSHHVCOBYHIKR-XIKARTHZSA-N
XLogP4.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63863014
1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanone
CID 82967703
(1S)-1-[2-(2-ethylcyclohexyl)oxy-4-methylphenyl]ethanamine
CID 78953333
1-[4-bromo-2-(cyclopentylmethoxy)phenyl]ethanol
CID 102948328
(1R)-1-(4-bromo-2-ethoxyphenyl)ethanol
CID 102948595
2-[5-bromo-2-[1-(ethylamino)ethyl]phenoxy]cyclopentan-1-ol
CID 102947682
1-[5-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-3-cyclopentylpropan-2-ol
CID 103159097
1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 63863292
1-[4-bromo-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135111
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]cyclohexan-1-ol
CID 63651051
1-bromo-3-(2-ethylcyclohexyl)oxybenzene
CID 63863406
(1S)-1-[4-bromo-2-(2-cyclopropylethoxy)phenyl]ethanol
CID 102949240

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol?
The IUPAC name of (1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol (CID 102948860) is (1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol?
The canonical SMILES for (1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol is CCC1CCCCC1Oc1cc(Br)ccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol?
The InChIKey is IOSHHVCOBYHIKR-XIKARTHZSA-N. The full InChI is InChI=1S/C16H23BrO2/c1-3-12-6-4-5-7-15(12)19-16-10-13(17)8-9-14(16)11(2)18/h8-12,15,18H,3-7H2,1-2H3/t11-,12?,15?/m1/s1.
What are the key properties of (1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol?
(1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol has a molecular weight of 327.26 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanol is sourced from PubChem (CID 102948860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).