3-(2-bromoprop-2-enyl)benzaldehyde

C10H9BrO — CID 13243283

IUPAC3-(2-bromoprop-2-enyl)benzaldehyde
SMILESC=C(Br)Cc1cccc(C=O)c1
InChIInChI=1S/C10H9BrO/c1-8(11)5-9-3-2-4-10(6-9)7-12/h2-4,6-7H,1,5H2
InChIKeyUAYVFHCPYBVPBB-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.95
Rot. Bonds3

About 3-(2-bromoprop-2-enyl)benzaldehyde

3-(2-bromoprop-2-enyl)benzaldehyde (PubChem CID 13243283) has the molecular formula C10H9BrO and a molecular weight of 225.09 g/mol. Its IUPAC name is 3-(2-bromoprop-2-enyl)benzaldehyde.

Molecular Properties

Compound Name3-(2-bromoprop-2-enyl)benzaldehyde
PubChem CID13243283
Molecular FormulaC10H9BrO
Molecular Weight225.09 g/mol
Exact Mass223.98
IUPAC Name3-(2-bromoprop-2-enyl)benzaldehyde
SMILESC=C(Br)Cc1cccc(C=O)c1
InChIInChI=1S/C10H9BrO/c1-8(11)5-9-3-2-4-10(6-9)7-12/h2-4,6-7H,1,5H2
InChIKeyUAYVFHCPYBVPBB-UHFFFAOYSA-N
XLogP2.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-formylphenyl)ethanethioamide
CID 88975492
3-(2-oxoethyl)benzaldehyde
CID 54321672
3-(ethylaminomethyl)benzaldehyde
CID 90105279
3-[[3-[[3-[[3-[(3-formylphenyl)methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]methoxymethyl]benzaldehyde
CID 11028483
2-(3-formylphenyl)-N-(2-hydroxypropyl)acetamide
CID 90104523
3-[1-(3-formylphenyl)ethenyl]benzaldehyde
CID 86226785
3-prop-2-ynylbenzaldehyde
CID 55262963
3-(methylaminomethyl)benzaldehyde
CID 20724862
3-(3-oxobutyl)benzaldehyde
CID 11137650
3-benzylbenzaldehyde;(3-benzylphenyl)methanol
CID 160613010
2-(3-formylphenyl)-N-(2H-tetrazol-5-ylmethyl)acetamide
CID 86596071
3-[2-[6-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-pyridinyl]prop-2-enyl]benzaldehyde
CID 142200146

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoprop-2-enyl)benzaldehyde?
The IUPAC name of 3-(2-bromoprop-2-enyl)benzaldehyde (CID 13243283) is 3-(2-bromoprop-2-enyl)benzaldehyde.
What is the SMILES notation for 3-(2-bromoprop-2-enyl)benzaldehyde?
The canonical SMILES for 3-(2-bromoprop-2-enyl)benzaldehyde is C=C(Br)Cc1cccc(C=O)c1.
What is the InChIKey of 3-(2-bromoprop-2-enyl)benzaldehyde?
The InChIKey is UAYVFHCPYBVPBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO/c1-8(11)5-9-3-2-4-10(6-9)7-12/h2-4,6-7H,1,5H2.
What are the key properties of 3-(2-bromoprop-2-enyl)benzaldehyde?
3-(2-bromoprop-2-enyl)benzaldehyde has a molecular weight of 225.09 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoprop-2-enyl)benzaldehyde is sourced from PubChem (CID 13243283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).