(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol

C13H17BrO — CID 11701728

IUPAC(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol
SMILESC/C(=C\C(O)CCc1ccccc1)CBr
InChIInChI=1S/C13H17BrO/c1-11(10-14)9-13(15)8-7-12-5-3-2-4-6-12/h2-6,9,13,15H,7-8,10H2,1H3/b11-9+
InChIKeyZAAHGESUGMLTMX-PKNBQFBNSA-N
MW269.18 g/mol
LogP3.32
Rot. Bonds5

About (E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol

(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol (PubChem CID 11701728) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is (E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol
PubChem CID11701728
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol
SMILESC/C(=C\C(O)CCc1ccccc1)CBr
InChIInChI=1S/C13H17BrO/c1-11(10-14)9-13(15)8-7-12-5-3-2-4-6-12/h2-6,9,13,15H,7-8,10H2,1H3/b11-9+
InChIKeyZAAHGESUGMLTMX-PKNBQFBNSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
alpha-(2-Methylpropyl)benzeneethanol
CID 62661
4-Phenyl-2-butanol
CID 61302
2-Pentylcinnamic alcohol
CID 5368491
1-Phenylethanol, (S)-
CID 443135
1-Phenylethanol, (R)-
CID 637516
1-Phenyl-2-pentanol
CID 61202
2-Pentyl-3-phenylprop-2-en-1-ol
CID 6076971
Phenylisohexanol
CID 108312
1-Phenyl-2-propanol
CID 94185

Frequently Asked Questions

What is the IUPAC name of (E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol?
The IUPAC name of (E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol (CID 11701728) is (E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol.
What is the SMILES notation for (E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol?
The canonical SMILES for (E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol is C/C(=C\C(O)CCc1ccccc1)CBr.
What is the InChIKey of (E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol?
The InChIKey is ZAAHGESUGMLTMX-PKNBQFBNSA-N. The full InChI is InChI=1S/C13H17BrO/c1-11(10-14)9-13(15)8-7-12-5-3-2-4-6-12/h2-6,9,13,15H,7-8,10H2,1H3/b11-9+.
What are the key properties of (E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol?
(E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol has a molecular weight of 269.18 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-bromo-5-methyl-1-phenylhex-4-en-3-ol is sourced from PubChem (CID 11701728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).