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

C12H15BrO2 — CID 102472331

IUPAC1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol
SMILESC=CCC(O)(CBr)c1ccc(OC)cc1
InChIInChI=1S/C12H15BrO2/c1-3-8-12(14,9-13)10-4-6-11(15-2)7-5-10/h3-7,14H,1,8-9H2,2H3
InChIKeyFXALEDQANCDPAS-UHFFFAOYSA-N
MW271.15 g/mol
LogP2.85
Rot. Bonds5

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

1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol (PubChem CID 102472331) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol.

Molecular Properties

Compound Name1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol
PubChem CID102472331
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol
SMILESC=CCC(O)(CBr)c1ccc(OC)cc1
InChIInChI=1S/C12H15BrO2/c1-3-8-12(14,9-13)10-4-6-11(15-2)7-5-10/h3-7,14H,1,8-9H2,2H3
InChIKeyFXALEDQANCDPAS-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 52.85
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-phenylpent-4-en-2-ol
CID 72801000
1-bromo-2-(4-methoxyphenyl)-4-methylpent-4-en-2-ol
CID 71723189
4-(4-methylphenyl)hepta-1,6-dien-4-ol
CID 12982478
CID 10951288
CID 10951288
(4-ethenylphenyl)-bis(4-methoxyphenyl)methanol
CID 101342310
(3S)-3-hydroxy-3-(4-methoxyphenyl)butanal
CID 97030756
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
2-(4-methoxyphenyl)butan-2-ol
CID 10307904
1-[4-(2-hydroxyethoxy)phenyl]-1-(4-methoxyphenyl)prop-2-en-1-ol
CID 147108243
1-(2,3-dibromo-1,1,1-trifluoropropan-2-yl)-4-methoxybenzene
CID 154711398
2-[(2R)-2-hydroxypent-4-en-2-yl]-4-methoxyphenol
CID 102252763
buta-1,3-diene;(Z)-but-2-ene;ethane;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene
CID 144595651

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol?
The IUPAC name of 1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol (CID 102472331) is 1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol.
What is the SMILES notation for 1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol?
The canonical SMILES for 1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol is C=CCC(O)(CBr)c1ccc(OC)cc1.
What is the InChIKey of 1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol?
The InChIKey is FXALEDQANCDPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-3-8-12(14,9-13)10-4-6-11(15-2)7-5-10/h3-7,14H,1,8-9H2,2H3.
What are the key properties of 1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol?
1-bromo-2-(4-methoxyphenyl)pent-4-en-2-ol has a molecular weight of 271.15 g/mol, XLogP of 2.85, 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)pent-4-en-2-ol is sourced from PubChem (CID 102472331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).