(E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol

C14H19BrO2 — CID 16759081

IUPAC(E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol
SMILESCOC(c1ccccc1Br)C(C)/C=C/CCO
InChIInChI=1S/C14H19BrO2/c1-11(7-5-6-10-16)14(17-2)12-8-3-4-9-13(12)15/h3-5,7-9,11,14,16H,6,10H2,1-2H3/b7-5+
InChIKeyYXRMVXHKSKJZSV-FNORWQNLSA-N
MW299.21 g/mol
LogP3.71
Rot. Bonds6

About (E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol

(E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol (PubChem CID 16759081) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is (E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol.

Molecular Properties

Compound Name(E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol
PubChem CID16759081
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name(E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol
SMILESCOC(c1ccccc1Br)C(C)/C=C/CCO
InChIInChI=1S/C14H19BrO2/c1-11(7-5-6-10-16)14(17-2)12-8-3-4-9-13(12)15/h3-5,7-9,11,14,16H,6,10H2,1-2H3/b7-5+
InChIKeyYXRMVXHKSKJZSV-FNORWQNLSA-N
XLogP3.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Bromophenyl)ethanol
CID 95352
1-(2-Bromophenyl)ethanol
CID 95455
1-(3-Bromophenyl)ethanol
CID 98479
(4-Bromophenyl)(cyclopropyl)methanol
CID 123566
2-(2-Bromophenyl)propan-2-ol
CID 329527
4-Bromo-alpha-propylbenzenemethanol
CID 90739
4-Bromo-alpha-ethylbenzenemethanol
CID 107290
(R)-1-(2-bromophenyl)ethanol
CID 2734868
(1R)-1-(3-bromophenyl)ethan-1-ol
CID 2734889
(1S)-1-(4-bromophenyl)ethan-1-ol
CID 2734890
1-(2-Bromophenyl)ethan-1-ol
CID 6950331
(1S)-1-(3-bromophenyl)ethan-1-ol
CID 6951261

Frequently Asked Questions

What is the IUPAC name of (E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol?
The IUPAC name of (E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol (CID 16759081) is (E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol.
What is the SMILES notation for (E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol?
The canonical SMILES for (E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol is COC(c1ccccc1Br)C(C)/C=C/CCO.
What is the InChIKey of (E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol?
The InChIKey is YXRMVXHKSKJZSV-FNORWQNLSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-11(7-5-6-10-16)14(17-2)12-8-3-4-9-13(12)15/h3-5,7-9,11,14,16H,6,10H2,1-2H3/b7-5+.
What are the key properties of (E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol?
(E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol has a molecular weight of 299.21 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(2-bromophenyl)-6-methoxy-5-methylhex-3-en-1-ol is sourced from PubChem (CID 16759081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).