(E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid

C14H15BrO2 — CID 82308028

IUPAC(E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid
SMILESO=C(O)/C=C(/c1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C14H15BrO2/c15-12-7-5-11(6-8-12)13(9-14(16)17)10-3-1-2-4-10/h5-10H,1-4H2,(H,16,17)/b13-9+
InChIKeyDXOZIOAPXDOUHN-UKTHLTGXSA-N
MW295.18 g/mol
LogP4.11
Rot. Bonds3

About (E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid

(E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid (PubChem CID 82308028) has the molecular formula C14H15BrO2 and a molecular weight of 295.18 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid
PubChem CID82308028
Molecular FormulaC14H15BrO2
Molecular Weight295.18 g/mol
Exact Mass294.03
IUPAC Name(E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid
SMILESO=C(O)/C=C(/c1ccc(Br)cc1)C1CCCC1
InChIInChI=1S/C14H15BrO2/c15-12-7-5-11(6-8-12)13(9-14(16)17)10-3-1-2-4-10/h5-10H,1-4H2,(H,16,17)/b13-9+
InChIKeyDXOZIOAPXDOUHN-UKTHLTGXSA-N
XLogP4.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-cyclohexyl-3-(4-fluorophenyl)prop-2-enoic acid
CID 51712108
(E)-3-cyclohexyl-3-(4-methylsulfonylphenyl)prop-2-enoic acid
CID 150155729
(4-bromophenyl)-cycloheptylmethanone
CID 63492666
(E)-3-(3-chlorophenyl)-3-cyclohexylprop-2-enoic acid
CID 82091607
(E)-3-(5-bromo-2-methoxyphenyl)-3-cyclobutylprop-2-enoic acid
CID 82308883
3-(3-chloro-4-methoxyphenyl)-3-cyclohexylprop-2-enoic acid
CID 171148042
(E)-3-cyclohexyl-3-(3-methoxyphenyl)prop-2-enoic acid
CID 82090151
(Z)-2-(4-bromophenyl)but-2-enedioic acid
CID 11777948
(Z)-3-(1-benzoylpiperidin-4-yl)-3-phenylprop-2-enoic acid
CID 67133158
3-(4-bromophenyl)-1-cyclohexylprop-2-en-1-one
CID 4000745
(E)-3-cyclobutyl-3-(2-oxo-1,3-dihydroindol-5-yl)prop-2-enoic acid
CID 82299852
(Z,2S)-5-(4-bromophenyl)-5-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid
CID 66702461

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid?
The IUPAC name of (E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid (CID 82308028) is (E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid.
What is the SMILES notation for (E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid?
The canonical SMILES for (E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid is O=C(O)/C=C(/c1ccc(Br)cc1)C1CCCC1.
What is the InChIKey of (E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid?
The InChIKey is DXOZIOAPXDOUHN-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H15BrO2/c15-12-7-5-11(6-8-12)13(9-14(16)17)10-3-1-2-4-10/h5-10H,1-4H2,(H,16,17)/b13-9+.
What are the key properties of (E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid?
(E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid has a molecular weight of 295.18 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-3-cyclopentylprop-2-enoic acid is sourced from PubChem (CID 82308028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).