[bromo(naphthalen-2-yl)methyl] prop-2-enoate

C14H11BrO2 — CID 134562341

IUPAC[bromo(naphthalen-2-yl)methyl] prop-2-enoate
SMILESC=CC(=O)OC(Br)c1ccc2ccccc2c1
InChIInChI=1S/C14H11BrO2/c1-2-13(16)17-14(15)12-8-7-10-5-3-4-6-11(10)9-12/h2-9,14H,1H2
InChIKeyBWURRKVRWRCMIL-UHFFFAOYSA-N
MW291.14 g/mol
LogP3.96
Rot. Bonds3

About [bromo(naphthalen-2-yl)methyl] prop-2-enoate

[bromo(naphthalen-2-yl)methyl] prop-2-enoate (PubChem CID 134562341) has the molecular formula C14H11BrO2 and a molecular weight of 291.14 g/mol. Its IUPAC name is [bromo(naphthalen-2-yl)methyl] prop-2-enoate.

Molecular Properties

Compound Name[bromo(naphthalen-2-yl)methyl] prop-2-enoate
PubChem CID134562341
Molecular FormulaC14H11BrO2
Molecular Weight291.14 g/mol
Exact Mass289.99
IUPAC Name[bromo(naphthalen-2-yl)methyl] prop-2-enoate
SMILESC=CC(=O)OC(Br)c1ccc2ccccc2c1
InChIInChI=1S/C14H11BrO2/c1-2-13(16)17-14(15)12-8-7-10-5-3-4-6-11(10)9-12/h2-9,14H,1H2
InChIKeyBWURRKVRWRCMIL-UHFFFAOYSA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.14
LogP ≤ 53.96
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

[(1R)-1-naphthalen-2-ylbut-3-enyl] prop-2-enoate
CID 67366945
1-naphthalen-2-ylprop-2-en-1-ol
CID 10921194
acetic acid;1-naphthalen-2-ylprop-2-en-1-ol
CID 70153213
[1,1,4,4-tetranaphthalen-2-yl-1,3,4-tri(prop-2-enoyloxy)butan-2-yl] prop-2-enoate
CID 21353442
N-[(1S)-1-naphthalen-2-ylethyl]prop-2-enamide
CID 101382734
(4-phenylperoxyphenyl) prop-2-enoate
CID 163991970
bis[bromo(phenyl)methyl] but-2-enedioate
CID 54262227
dinaphthalen-2-ylmethyl carbamate
CID 173097882
(2-hydroxy-2-naphthalen-2-yloxyethyl) prop-2-enoate
CID 118222401
CID 159481428
CID 159481428
phenyl prop-2-enoate;triphenylene
CID 159225619
[4-[bis(4-prop-2-enoyloxyphenyl)methyl]phenyl] prop-2-enoate
CID 90224723

Frequently Asked Questions

What is the IUPAC name of [bromo(naphthalen-2-yl)methyl] prop-2-enoate?
The IUPAC name of [bromo(naphthalen-2-yl)methyl] prop-2-enoate (CID 134562341) is [bromo(naphthalen-2-yl)methyl] prop-2-enoate.
What is the SMILES notation for [bromo(naphthalen-2-yl)methyl] prop-2-enoate?
The canonical SMILES for [bromo(naphthalen-2-yl)methyl] prop-2-enoate is C=CC(=O)OC(Br)c1ccc2ccccc2c1.
What is the InChIKey of [bromo(naphthalen-2-yl)methyl] prop-2-enoate?
The InChIKey is BWURRKVRWRCMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO2/c1-2-13(16)17-14(15)12-8-7-10-5-3-4-6-11(10)9-12/h2-9,14H,1H2.
What are the key properties of [bromo(naphthalen-2-yl)methyl] prop-2-enoate?
[bromo(naphthalen-2-yl)methyl] prop-2-enoate has a molecular weight of 291.14 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(naphthalen-2-yl)methyl] prop-2-enoate is sourced from PubChem (CID 134562341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).