1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol

C13H17BrO2 — CID 71723189

IUPAC1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(O)(CBr)c1ccc(OC)cc1
InChIInChI=1S/C13H17BrO2/c1-10(2)8-13(15,9-14)11-4-6-12(16-3)7-5-11/h4-7,15H,1,8-9H2,2-3H3
InChIKeyBXLFEQZUWJFOSK-UHFFFAOYSA-N
MW285.18 g/mol
LogP3.24
Rot. Bonds5

About 1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol

1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol (PubChem CID 71723189) has the molecular formula C13H17BrO2 and a molecular weight of 285.18 g/mol. Its IUPAC name is 1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol.

Molecular Properties

Compound Name1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol
PubChem CID71723189
Molecular FormulaC13H17BrO2
Molecular Weight285.18 g/mol
Exact Mass284.04
IUPAC Name1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol
SMILESC=C(C)CC(O)(CBr)c1ccc(OC)cc1
InChIInChI=1S/C13H17BrO2/c1-10(2)8-13(15,9-14)11-4-6-12(16-3)7-5-11/h4-7,15H,1,8-9H2,2-3H3
InChIKeyBXLFEQZUWJFOSK-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol
CID 102472331
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CID 146167639
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2-(4-methoxyphenyl)butan-2-ol
CID 10307904
1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene
CID 154711398
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CID 90346624
2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 79008309
2-(hydroxymethyl)-2-(4-methoxyphenyl)propane-1,3-diol
CID 175668445
1-(4-methoxyphenyl)-2,3-dimethylbut-3-en-2-ol
CID 79189896
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol
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CID 66002453

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol?
The IUPAC name of 1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol (CID 71723189) is 1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol.
What is the SMILES notation for 1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol?
The canonical SMILES for 1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol is C=C(C)CC(O)(CBr)c1ccc(OC)cc1.
What is the InChIKey of 1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol?
The InChIKey is BXLFEQZUWJFOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO2/c1-10(2)8-13(15,9-14)11-4-6-12(16-3)7-5-11/h4-7,15H,1,8-9H2,2-3H3.
What are the key properties of 1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol?
1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol has a molecular weight of 285.18 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol is sourced from PubChem (CID 71723189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).