methyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate

C11H10Br2O2 — CID 11624149

IUPACmethyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1cccc(Br)c1)CBr
InChIInChI=1S/C11H10Br2O2/c1-15-11(14)9(7-12)5-8-3-2-4-10(13)6-8/h2-6H,7H2,1H3/b9-5+
InChIKeyGUJMTYMIMVVDQC-WEVVVXLNSA-N
MW334.01 g/mol
LogP3.40
Rot. Bonds3

About methyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate

methyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate (PubChem CID 11624149) has the molecular formula C11H10Br2O2 and a molecular weight of 334.01 g/mol. Its IUPAC name is methyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate
PubChem CID11624149
Molecular FormulaC11H10Br2O2
Molecular Weight334.01 g/mol
Exact Mass331.90
IUPAC Namemethyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1cccc(Br)c1)CBr
InChIInChI=1S/C11H10Br2O2/c1-15-11(14)9(7-12)5-8-3-2-4-10(13)6-8/h2-6H,7H2,1H3/b9-5+
InChIKeyGUJMTYMIMVVDQC-WEVVVXLNSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.01
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2E)-2-[(3-bromophenyl)methylidene]-3-oxobutanoate
CID 18401861
methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate
CID 143299648
methane;methyl (Z)-3-(3-bromophenyl)-2-(methoxyamino)prop-2-enoate
CID 143299647
3-(3-bromophenyl)-2-methoxyprop-2-enoic acid
CID 67763636
(2Z)-2-[(3-bromophenyl)methylidene]butanoic acid
CID 88925191
methyl 4-(3-bromophenyl)-2-oxobut-3-enoate
CID 70700454
methyl (Z)-2-(bromomethyl)-3-(2-bromophenyl)prop-2-enoate
CID 46848449
methyl (Z)-3-(3-bromophenyl)-2-(phenylmethoxycarbonylamino)prop-2-enoate
CID 59021843
3-[2-[(3-bromophenyl)methylidene]butanoyloxy]propanoic acid
CID 175447032
ethyl (Z)-2-(bromomethyl)-3-(3-chlorophenyl)prop-2-enoate
CID 14812496
(2E)-2-[(3-bromophenyl)methylidene]pentanedioic acid
CID 82160259
methyl (Z)-3-(3-chlorophenyl)-2-(iodomethyl)prop-2-enoate
CID 141213977

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate?
The IUPAC name of methyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate (CID 11624149) is methyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate.
What is the SMILES notation for methyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate?
The canonical SMILES for methyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate is COC(=O)/C(=C/c1cccc(Br)c1)CBr.
What is the InChIKey of methyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate?
The InChIKey is GUJMTYMIMVVDQC-WEVVVXLNSA-N. The full InChI is InChI=1S/C11H10Br2O2/c1-15-11(14)9(7-12)5-8-3-2-4-10(13)6-8/h2-6H,7H2,1H3/b9-5+.
What are the key properties of methyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate?
methyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate has a molecular weight of 334.01 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-(bromomethyl)-3-(3-bromophenyl)prop-2-enoate is sourced from PubChem (CID 11624149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).