(E)-8-(2-bromophenyl)oct-5-en-2-ol

C14H19BrO — CID 102174719

IUPAC(E)-8-(2-bromophenyl)oct-5-en-2-ol
SMILESCC(O)CC/C=C/CCc1ccccc1Br
InChIInChI=1S/C14H19BrO/c1-12(16)8-4-2-3-5-9-13-10-6-7-11-14(13)15/h2-3,6-7,10-12,16H,4-5,8-9H2,1H3/b3-2+
InChIKeyQKXIMDOKMODIHJ-NSCUHMNNSA-N
MW283.21 g/mol
LogP4.10
Rot. Bonds6

About (E)-8-(2-bromophenyl)oct-5-en-2-ol

(E)-8-(2-bromophenyl)oct-5-en-2-ol (PubChem CID 102174719) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is (E)-8-(2-bromophenyl)oct-5-en-2-ol.

Molecular Properties

Compound Name(E)-8-(2-bromophenyl)oct-5-en-2-ol
PubChem CID102174719
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name(E)-8-(2-bromophenyl)oct-5-en-2-ol
SMILESCC(O)CC/C=C/CCc1ccccc1Br
InChIInChI=1S/C14H19BrO/c1-12(16)8-4-2-3-5-9-13-10-6-7-11-14(13)15/h2-3,6-7,10-12,16H,4-5,8-9H2,1H3/b3-2+
InChIKeyQKXIMDOKMODIHJ-NSCUHMNNSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-8-(2-bromophenyl)oct-5-en-2-ol?
The IUPAC name of (E)-8-(2-bromophenyl)oct-5-en-2-ol (CID 102174719) is (E)-8-(2-bromophenyl)oct-5-en-2-ol.
What is the SMILES notation for (E)-8-(2-bromophenyl)oct-5-en-2-ol?
The canonical SMILES for (E)-8-(2-bromophenyl)oct-5-en-2-ol is CC(O)CC/C=C/CCc1ccccc1Br.
What is the InChIKey of (E)-8-(2-bromophenyl)oct-5-en-2-ol?
The InChIKey is QKXIMDOKMODIHJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C14H19BrO/c1-12(16)8-4-2-3-5-9-13-10-6-7-11-14(13)15/h2-3,6-7,10-12,16H,4-5,8-9H2,1H3/b3-2+.
What are the key properties of (E)-8-(2-bromophenyl)oct-5-en-2-ol?
(E)-8-(2-bromophenyl)oct-5-en-2-ol has a molecular weight of 283.21 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-(2-bromophenyl)oct-5-en-2-ol is sourced from PubChem (CID 102174719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).