methyl 3-(4-bromophenyl)prop-2-enoate

C10H9BrO2 — CID 816773

IUPACmethyl 3-(4-bromophenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(Br)cc1
InChIInChI=1S/C10H9BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3
InChIKeyMFKOGXVHZUSUAF-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.64
Rot. Bonds2

About methyl 3-(4-bromophenyl)prop-2-enoate

methyl 3-(4-bromophenyl)prop-2-enoate (PubChem CID 816773) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is methyl 3-(4-bromophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(4-bromophenyl)prop-2-enoate
PubChem CID816773
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Namemethyl 3-(4-bromophenyl)prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(Br)cc1
InChIInChI=1S/C10H9BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3
InChIKeyMFKOGXVHZUSUAF-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-bromophenyl)prop-2-enoic acid;methyl (E)-3-(4-bromophenyl)prop-2-enoate
CID 164965179
methyl (2E,4Z)-5-(4-bromophenyl)penta-2,4-dienoate
CID 92525134
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
methyl (E)-3-(3-bromophenyl)prop-2-enoate
CID 1482751
methyl (E)-3-[4-(hydroxyiminomethyl)phenyl]prop-2-enoate
CID 173183558
methyl (E)-3-[4-[(Z)-hydroxyiminomethyl]phenyl]prop-2-enoate
CID 87885126
methyl (E)-3-[4-[(E)-2-pyridin-4-ylethenyl]phenyl]prop-2-enoate
CID 101358930
methyl 3-(4-methylsulfanylphenyl)prop-2-enoate
CID 6624383
methyl (E)-3-(4-bromo-3-hydroxyphenyl)prop-2-enoate
CID 12641155
methyl (E)-3-[4-(2-bromoethyl)phenyl]prop-2-enoate
CID 174680836

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-bromophenyl)prop-2-enoate?
The IUPAC name of methyl 3-(4-bromophenyl)prop-2-enoate (CID 816773) is methyl 3-(4-bromophenyl)prop-2-enoate.
What is the SMILES notation for methyl 3-(4-bromophenyl)prop-2-enoate?
The canonical SMILES for methyl 3-(4-bromophenyl)prop-2-enoate is COC(=O)C=Cc1ccc(Br)cc1.
What is the InChIKey of methyl 3-(4-bromophenyl)prop-2-enoate?
The InChIKey is MFKOGXVHZUSUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3.
What are the key properties of methyl 3-(4-bromophenyl)prop-2-enoate?
methyl 3-(4-bromophenyl)prop-2-enoate has a molecular weight of 241.08 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-bromophenyl)prop-2-enoate is sourced from PubChem (CID 816773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).