bromobenzene;pent-4-en-2-ol

C11H15BrO — CID 145155051

IUPACbromobenzene;pent-4-en-2-ol
SMILESBrc1ccccc1.C=CCC(C)O
InChIInChI=1S/C6H5Br.C5H10O/c7-6-4-2-1-3-5-6;1-3-4-5(2)6/h1-5H;3,5-6H,1,4H2,2H3
InChIKeyWQCIWWZTGKOJRJ-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.39
Rot. Bonds2

About bromobenzene;pent-4-en-2-ol

bromobenzene;pent-4-en-2-ol (PubChem CID 145155051) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is bromobenzene;pent-4-en-2-ol.

Molecular Properties

Compound Namebromobenzene;pent-4-en-2-ol
PubChem CID145155051
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Namebromobenzene;pent-4-en-2-ol
SMILESBrc1ccccc1.C=CCC(C)O
InChIInChI=1S/C6H5Br.C5H10O/c7-6-4-2-1-3-5-6;1-3-4-5(2)6/h1-5H;3,5-6H,1,4H2,2H3
InChIKeyWQCIWWZTGKOJRJ-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bromobenzene;prop-2-en-1-ol
CID 174582586
azane;pent-4-en-2-ol
CID 22149561
bromobenzene;prop-1-ene
CID 159947245
(2R,3S)-2-phenylhex-5-en-3-ol
CID 12633863
(2S,3R)-3-phenylhex-5-en-2-ol
CID 129363226
4,6-dimethylnona-1,8-dien-5-one;styrene
CID 66739341
1-bromo-4-ethenylbenzene;prop-2-enylbenzene
CID 162084429
1-(4-bromophenyl)-2-methylbut-3-en-1-ol
CID 14111207
bromobenzene;ethanol
CID 134249194
bromobenzene;2-methylpropanoic acid
CID 161414632
pent-4-en-2-ol;urea
CID 88650571
(2R,3S)-2-phenylsulfanylhex-5-en-3-ol
CID 10679903

Frequently Asked Questions

What is the IUPAC name of bromobenzene;pent-4-en-2-ol?
The IUPAC name of bromobenzene;pent-4-en-2-ol (CID 145155051) is bromobenzene;pent-4-en-2-ol.
What is the SMILES notation for bromobenzene;pent-4-en-2-ol?
The canonical SMILES for bromobenzene;pent-4-en-2-ol is Brc1ccccc1.C=CCC(C)O.
What is the InChIKey of bromobenzene;pent-4-en-2-ol?
The InChIKey is WQCIWWZTGKOJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5Br.C5H10O/c7-6-4-2-1-3-5-6;1-3-4-5(2)6/h1-5H;3,5-6H,1,4H2,2H3.
What are the key properties of bromobenzene;pent-4-en-2-ol?
bromobenzene;pent-4-en-2-ol has a molecular weight of 243.14 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromobenzene;pent-4-en-2-ol is sourced from PubChem (CID 145155051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).