2-(3-bromophenyl)-2-cyclohexylethanol

C14H19BrO — CID 79016626

IUPAC2-(3-bromophenyl)-2-cyclohexylethanol
SMILESOCC(c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C14H19BrO/c15-13-8-4-7-12(9-13)14(10-16)11-5-2-1-3-6-11/h4,7-9,11,14,16H,1-3,5-6,10H2
InChIKeyWENMKCZEBNPXFK-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.11
Rot. Bonds3

About 2-(3-bromophenyl)-2-cyclohexylethanol

2-(3-bromophenyl)-2-cyclohexylethanol (PubChem CID 79016626) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-cyclohexylethanol.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-cyclohexylethanol
PubChem CID79016626
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name2-(3-bromophenyl)-2-cyclohexylethanol
SMILESOCC(c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C14H19BrO/c15-13-8-4-7-12(9-13)14(10-16)11-5-2-1-3-6-11/h4,7-9,11,14,16H,1-3,5-6,10H2
InChIKeyWENMKCZEBNPXFK-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-2-cyclohexylethanol?
The IUPAC name of 2-(3-bromophenyl)-2-cyclohexylethanol (CID 79016626) is 2-(3-bromophenyl)-2-cyclohexylethanol.
What is the SMILES notation for 2-(3-bromophenyl)-2-cyclohexylethanol?
The canonical SMILES for 2-(3-bromophenyl)-2-cyclohexylethanol is OCC(c1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of 2-(3-bromophenyl)-2-cyclohexylethanol?
The InChIKey is WENMKCZEBNPXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c15-13-8-4-7-12(9-13)14(10-16)11-5-2-1-3-6-11/h4,7-9,11,14,16H,1-3,5-6,10H2.
What are the key properties of 2-(3-bromophenyl)-2-cyclohexylethanol?
2-(3-bromophenyl)-2-cyclohexylethanol has a molecular weight of 283.21 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-cyclohexylethanol is sourced from PubChem (CID 79016626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).