1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol

C19H17BrO2 — CID 54751770

IUPAC1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol
SMILESC=C=C(c1ccccc1)C(O)c1ccccc1OCC(=C)Br
InChIInChI=1S/C19H17BrO2/c1-3-16(15-9-5-4-6-10-15)19(21)17-11-7-8-12-18(17)22-13-14(2)20/h4-12,19,21H,1-2,13H2
InChIKeyABGACYYFLRZPBD-UHFFFAOYSA-N
MW357.25 g/mol
LogP4.88
Rot. Bonds6

About 1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol

1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol (PubChem CID 54751770) has the molecular formula C19H17BrO2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol.

Molecular Properties

Compound Name1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol
PubChem CID54751770
Molecular FormulaC19H17BrO2
Molecular Weight357.25 g/mol
Exact Mass356.04
IUPAC Name1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol
SMILESC=C=C(c1ccccc1)C(O)c1ccccc1OCC(=C)Br
InChIInChI=1S/C19H17BrO2/c1-3-16(15-9-5-4-6-10-15)19(21)17-11-7-8-12-18(17)22-13-14(2)20/h4-12,19,21H,1-2,13H2
InChIKeyABGACYYFLRZPBD-UHFFFAOYSA-N
XLogP4.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[2-(2-methylprop-2-enoxy)phenyl]buta-2,3-dien-1-ol
CID 72792519
1,2-diphenylbuta-2,3-dien-1-ol
CID 10889496
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
4-methoxyhexa-1,2-dien-3-ylbenzene
CID 174694094
(1S)-1-[2-(2-chloroprop-2-enoxy)phenyl]ethanamine
CID 63366958
(1S)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 78933036
1-(2-phenylprop-2-enylperoxy)-2-propan-2-ylbenzene
CID 19352226
(1R)-1-[2-(2-methylprop-2-enoxy)phenyl]propan-1-amine
CID 63366086
1-[2-(2-methoxyethoxy)phenyl]-2-phenylethanol
CID 104658697
2-bromo-1-(2-ethoxyphenyl)-2,2-difluoroethanol
CID 107140033
(2R)-2-(2-ethoxyphenyl)-2-hydroxyacetamide
CID 94376566
1-[2-(2-phenoxyethoxy)phenyl]ethanol
CID 54794905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol?
The IUPAC name of 1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol (CID 54751770) is 1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol.
What is the SMILES notation for 1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol?
The canonical SMILES for 1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol is C=C=C(c1ccccc1)C(O)c1ccccc1OCC(=C)Br.
What is the InChIKey of 1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol?
The InChIKey is ABGACYYFLRZPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO2/c1-3-16(15-9-5-4-6-10-15)19(21)17-11-7-8-12-18(17)22-13-14(2)20/h4-12,19,21H,1-2,13H2.
What are the key properties of 1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol?
1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol has a molecular weight of 357.25 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromoprop-2-enoxy)phenyl]-2-phenylbuta-2,3-dien-1-ol is sourced from PubChem (CID 54751770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).