(2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol

C17H19BrO2 — CID 106855338

IUPAC(2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol
SMILESOC(c1ccc(C2CCCCC2)cc1)c1ccoc1Br
InChIInChI=1S/C17H19BrO2/c18-17-15(10-11-20-17)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12,16,19H,1-5H2
InChIKeyLLNLEVHRGIFDOI-UHFFFAOYSA-N
MW335.24 g/mol
LogP5.17
Rot. Bonds3

About (2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol

(2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol (PubChem CID 106855338) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol
PubChem CID106855338
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name(2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol
SMILESOC(c1ccc(C2CCCCC2)cc1)c1ccoc1Br
InChIInChI=1S/C17H19BrO2/c18-17-15(10-11-20-17)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12,16,19H,1-5H2
InChIKeyLLNLEVHRGIFDOI-UHFFFAOYSA-N
XLogP5.17
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.24
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyclohexylphenyl)-(4-iodophenyl)methanol
CID 63427013
(4-benzylphenyl)-(2-bromofuran-3-yl)methanol
CID 106855403
(4-cyclohexylphenyl)-(2-methylfuran-3-yl)methanamine
CID 43464305
(4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836232
(2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 115836289
2-bromo-1-(4-cyclohexylphenyl)ethanol
CID 116863188
2-amino-1-(4-cyclohexylphenyl)ethanol
CID 82114264
(4-bromo-3-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 115836272
1-(4-cyclobutylphenyl)-2-phenylethane-1,2-diol
CID 103459446
(3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 107947823
(5-bromo-2-pyridinyl)-(4-cyclobutylphenyl)methanol
CID 116505490
(2S)-2-amino-2-(4-cyclohexylphenyl)acetic acid
CID 66512949

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol?
The IUPAC name of (2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol (CID 106855338) is (2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol.
What is the SMILES notation for (2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol?
The canonical SMILES for (2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol is OC(c1ccc(C2CCCCC2)cc1)c1ccoc1Br.
What is the InChIKey of (2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol?
The InChIKey is LLNLEVHRGIFDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c18-17-15(10-11-20-17)16(19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-12,16,19H,1-5H2.
What are the key properties of (2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol?
(2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol has a molecular weight of 335.24 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol is sourced from PubChem (CID 106855338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).