[(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate

C11H11BrO3 — CID 23630652

IUPAC[(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO3/c1-14-11(13)15-8-2-3-9-4-6-10(12)7-5-9/h2-7H,8H2,1H3/b3-2+
InChIKeyWBPOZYKBSFLSHJ-NSCUHMNNSA-N
MW271.11 g/mol
LogP3.25
Rot. Bonds3

About [(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate

[(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate (PubChem CID 23630652) has the molecular formula C11H11BrO3 and a molecular weight of 271.11 g/mol. Its IUPAC name is [(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate.

Molecular Properties

Compound Name[(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate
PubChem CID23630652
Molecular FormulaC11H11BrO3
Molecular Weight271.11 g/mol
Exact Mass269.99
IUPAC Name[(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate
SMILESCOC(=O)OC/C=C/c1ccc(Br)cc1
InChIInChI=1S/C11H11BrO3/c1-14-11(13)15-8-2-3-9-4-6-10(12)7-5-9/h2-7H,8H2,1H3/b3-2+
InChIKeyWBPOZYKBSFLSHJ-NSCUHMNNSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-3-(4-bromophenyl)prop-2-enyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 134900413
[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] methyl carbonate
CID 101356088
[(E)-3-phenylprop-2-enyl] (2S)-2-[(4-bromobenzoyl)amino]propanoate
CID 8880448
(E)-5-(4-bromophenyl)pent-4-en-2-one
CID 131239748
methyl 3-(4-bromophenyl)prop-2-enoate
CID 816773
methyl 2-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]acetate
CID 43404674
[(E)-3-(2-fluorophenyl)prop-2-enyl] methyl carbonate
CID 101422727
[(E)-3-phenylprop-2-enyl] 2-[(4-bromobenzoyl)amino]acetate
CID 9364237
methyl (Z)-4-(4-bromophenyl)-2-(trifluoromethyl)but-3-enoate
CID 141258063
ethane;[(E)-3-[4-(methylamino)phenyl]prop-2-enyl] acetate
CID 143755056
methyl 4-[(E)-3-methoxyprop-1-enyl]benzoate
CID 23294752
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate?
The IUPAC name of [(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate (CID 23630652) is [(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate.
What is the SMILES notation for [(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate?
The canonical SMILES for [(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate is COC(=O)OC/C=C/c1ccc(Br)cc1.
What is the InChIKey of [(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate?
The InChIKey is WBPOZYKBSFLSHJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H11BrO3/c1-14-11(13)15-8-2-3-9-4-6-10(12)7-5-9/h2-7H,8H2,1H3/b3-2+.
What are the key properties of [(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate?
[(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate has a molecular weight of 271.11 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-bromophenyl)prop-2-enyl] methyl carbonate is sourced from PubChem (CID 23630652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).