1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol

C16H23BrO2 — CID 63950627

IUPAC1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol
SMILESOC1(c2occc2Br)CCCCC1C1CCCCC1
InChIInChI=1S/C16H23BrO2/c17-14-9-11-19-15(14)16(18)10-5-4-8-13(16)12-6-2-1-3-7-12/h9,11-13,18H,1-8,10H2
InChIKeyJBRGYBWUYZAUNB-UHFFFAOYSA-N
MW327.26 g/mol
LogP5.00
Rot. Bonds2

About 1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol

1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol (PubChem CID 63950627) has the molecular formula C16H23BrO2 and a molecular weight of 327.26 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol
PubChem CID63950627
Molecular FormulaC16H23BrO2
Molecular Weight327.26 g/mol
Exact Mass326.09
IUPAC Name1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol
SMILESOC1(c2occc2Br)CCCCC1C1CCCCC1
InChIInChI=1S/C16H23BrO2/c17-14-9-11-19-15(14)16(18)10-5-4-8-13(16)12-6-2-1-3-7-12/h9,11-13,18H,1-8,10H2
InChIKeyJBRGYBWUYZAUNB-UHFFFAOYSA-N
XLogP5.00
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.26
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol (CID 63950627) is 1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol is OC1(c2occc2Br)CCCCC1C1CCCCC1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol?
The InChIKey is JBRGYBWUYZAUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO2/c17-14-9-11-19-15(14)16(18)10-5-4-8-13(16)12-6-2-1-3-7-12/h9,11-13,18H,1-8,10H2.
What are the key properties of 1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol?
1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol has a molecular weight of 327.26 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-cyclohexylcyclohexan-1-ol is sourced from PubChem (CID 63950627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).