1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde

C14H11BrO — CID 169476208

IUPAC1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2ccccc2c1C=CCBr
InChIInChI=1S/C14H11BrO/c15-9-3-6-14-12(10-16)8-7-11-4-1-2-5-13(11)14/h1-8,10H,9H2
InChIKeyVIZJQHGDWXMKCS-UHFFFAOYSA-N
MW275.15 g/mol
LogP4.06
Rot. Bonds3

About 1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde

1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde (PubChem CID 169476208) has the molecular formula C14H11BrO and a molecular weight of 275.15 g/mol. Its IUPAC name is 1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde
PubChem CID169476208
Molecular FormulaC14H11BrO
Molecular Weight275.15 g/mol
Exact Mass274.00
IUPAC Name1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde
SMILESO=Cc1ccc2ccccc2c1C=CCBr
InChIInChI=1S/C14H11BrO/c15-9-3-6-14-12(10-16)8-7-11-4-1-2-5-13(11)14/h1-8,10H,9H2
InChIKeyVIZJQHGDWXMKCS-UHFFFAOYSA-N
XLogP4.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxybut-1-enyl)naphthalene-2-carbaldehyde
CID 170477329
1-(4-aminobut-1-enyl)naphthalene-2-carbaldehyde
CID 170487685
1-[4-(methylamino)but-1-enyl]naphthalene-2-carbaldehyde
CID 170496520
9-(3-bromoprop-1-enyl)anthracene
CID 169476418
S-[3-(2-formylnaphthalen-1-yl)prop-2-enyl] ethanethioate
CID 169457992
ethane;2-ethenylnaphthalene-1-carbaldehyde
CID 91162051
1-[(Z)-2-(3-methoxyphenyl)ethenyl]naphthalene-2-carbaldehyde
CID 165389450
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
1,2-bis[(E)-prop-1-enyl]naphthalene
CID 19743380
1-(hydroxymethyl)naphthalene-2-carbaldehyde
CID 21242059
(E)-3-[1-[(E)-2-carboxyethenyl]naphthalen-2-yl]prop-2-enoic acid
CID 67681158
naphthalene-1-carbaldehyde;zinc
CID 88790891

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde?
The IUPAC name of 1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde (CID 169476208) is 1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde.
What is the SMILES notation for 1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde?
The canonical SMILES for 1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde is O=Cc1ccc2ccccc2c1C=CCBr.
What is the InChIKey of 1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde?
The InChIKey is VIZJQHGDWXMKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrO/c15-9-3-6-14-12(10-16)8-7-11-4-1-2-5-13(11)14/h1-8,10H,9H2.
What are the key properties of 1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde?
1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde has a molecular weight of 275.15 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoprop-1-enyl)naphthalene-2-carbaldehyde is sourced from PubChem (CID 169476208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).