methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate

C16H13BrO2 — CID 14690852

IUPACmethyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate
SMILESCOC(=O)c1ccccc1/C=C\c1ccccc1Br
InChIInChI=1S/C16H13BrO2/c1-19-16(18)14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)17/h2-11H,1H3/b11-10-
InChIKeyFVUGBWHIWQBFMP-KHPPLWFESA-N
MW317.18 g/mol
LogP4.41
Rot. Bonds3

About methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate

methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate (PubChem CID 14690852) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate
PubChem CID14690852
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Namemethyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate
SMILESCOC(=O)c1ccccc1/C=C\c1ccccc1Br
InChIInChI=1S/C16H13BrO2/c1-19-16(18)14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)17/h2-11H,1H3/b11-10-
InChIKeyFVUGBWHIWQBFMP-KHPPLWFESA-N
XLogP4.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-bromophenyl)ethenyl]benzoic acid
CID 54475842
methyl 2-[(Z)-4-methoxy-3,4-dioxobut-1-enyl]benzoate
CID 11708584
methyl 2-[(E)-3-oxoprop-1-enyl]benzoate
CID 12656130
methyl 2-[(E)-3-(2-chlorophenyl)-3-oxoprop-1-enyl]benzoate
CID 9026728
methyl 2-[(E)-2-ethoxyethenyl]benzoate
CID 146567603
methyl 2-[(E)-4-hydroxybut-1-enyl]benzoate
CID 135084302
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[(E)-3-azido-3-oxoprop-1-enyl]benzoate
CID 150048479
methyl 2-[2-(3-methoxyphenyl)ethenyl]benzoate
CID 170944144
methyl 2-[(E)-2-(4-nitrophenyl)ethenyl]benzoate
CID 6300586
methyl 4-[3-(2-bromophenyl)prop-2-enoylamino]benzoate
CID 78777184
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate?
The IUPAC name of methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate (CID 14690852) is methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate.
What is the SMILES notation for methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate?
The canonical SMILES for methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate is COC(=O)c1ccccc1/C=C\c1ccccc1Br.
What is the InChIKey of methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate?
The InChIKey is FVUGBWHIWQBFMP-KHPPLWFESA-N. The full InChI is InChI=1S/C16H13BrO2/c1-19-16(18)14-8-4-2-6-12(14)10-11-13-7-3-5-9-15(13)17/h2-11H,1H3/b11-10-.
What are the key properties of methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate?
methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate has a molecular weight of 317.18 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(Z)-2-(2-bromophenyl)ethenyl]benzoate is sourced from PubChem (CID 14690852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).