1-bromo-2-phenylpent-4-en-2-ol

C11H13BrO — CID 72801000

IUPAC1-bromo-2-phenylpent-4-en-2-ol
SMILESC=CCC(O)(CBr)c1ccccc1
InChIInChI=1S/C11H13BrO/c1-2-8-11(13,9-12)10-6-4-3-5-7-10/h2-7,13H,1,8-9H2
InChIKeyGZHHBNBVSVNFQS-UHFFFAOYSA-N
MW241.13 g/mol
LogP2.85
Rot. Bonds4

About 1-bromo-2-phenylpent-4-en-2-ol

1-bromo-2-phenylpent-4-en-2-ol (PubChem CID 72801000) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-bromo-2-phenylpent-4-en-2-ol.

Molecular Properties

Compound Name1-bromo-2-phenylpent-4-en-2-ol
PubChem CID72801000
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name1-bromo-2-phenylpent-4-en-2-ol
SMILESC=CCC(O)(CBr)c1ccccc1
InChIInChI=1S/C11H13BrO/c1-2-8-11(13,9-12)10-6-4-3-5-7-10/h2-7,13H,1,8-9H2
InChIKeyGZHHBNBVSVNFQS-UHFFFAOYSA-N
XLogP2.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 52.85
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

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N-(2-hydroxy-2-phenylpent-4-enyl)-2-methylpropane-2-sulfonamide
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4-(4-methylphenyl)hepta-1,6-dien-4-ol
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CID 15527575
1-(benzenesulfonyl)-3-bromo-2-phenylpropan-2-ol
CID 14580196
dilithium;1-phenylbut-3-ene-1,1-diolate
CID 134892935
3-phenyl-3-prop-2-enylpentane-1,5-diol
CID 173032148
2-amino-2-phenylpent-4-en-1-ol
CID 10464867
3-phenylhex-5-ene-2,3-diol;phosphorous acid
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CID 13193271

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-phenylpent-4-en-2-ol?
The IUPAC name of 1-bromo-2-phenylpent-4-en-2-ol (CID 72801000) is 1-bromo-2-phenylpent-4-en-2-ol.
What is the SMILES notation for 1-bromo-2-phenylpent-4-en-2-ol?
The canonical SMILES for 1-bromo-2-phenylpent-4-en-2-ol is C=CCC(O)(CBr)c1ccccc1.
What is the InChIKey of 1-bromo-2-phenylpent-4-en-2-ol?
The InChIKey is GZHHBNBVSVNFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-2-8-11(13,9-12)10-6-4-3-5-7-10/h2-7,13H,1,8-9H2.
What are the key properties of 1-bromo-2-phenylpent-4-en-2-ol?
1-bromo-2-phenylpent-4-en-2-ol has a molecular weight of 241.13 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-phenylpent-4-en-2-ol is sourced from PubChem (CID 72801000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).