1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol

C14H21BrO2 — CID 107429867

IUPAC1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(c2occc2Br)C1
InChIInChI=1S/C14H21BrO2/c1-10(2)8-11-4-3-6-14(16,9-11)13-12(15)5-7-17-13/h5,7,10-11,16H,3-4,6,8-9H2,1-2H3
InChIKeyGIWRXPPVQHAKEG-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.47
Rot. Bonds3

About 1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol

1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429867) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429867
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(c2occc2Br)C1
InChIInChI=1S/C14H21BrO2/c1-10(2)8-11-4-3-6-14(16,9-11)13-12(15)5-7-17-13/h5,7,10-11,16H,3-4,6,8-9H2,1-2H3
InChIKeyGIWRXPPVQHAKEG-UHFFFAOYSA-N
XLogP4.47
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.47
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)-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429867) is 1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol is CC(C)CC1CCCC(O)(c2occc2Br)C1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is GIWRXPPVQHAKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-10(2)8-11-4-3-6-14(16,9-11)13-12(15)5-7-17-13/h5,7,10-11,16H,3-4,6,8-9H2,1-2H3.
What are the key properties of 1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol?
1-(3-bromofuran-2-yl)-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 301.22 g/mol, XLogP of 4.47, 3 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)-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).