2-(1-chloronaphthalen-2-yl)acetaldehyde

C12H9ClO — CID 54518324

IUPAC2-(1-chloronaphthalen-2-yl)acetaldehyde
SMILESO=CCc1ccc2ccccc2c1Cl
InChIInChI=1S/C12H9ClO/c13-12-10(7-8-14)6-5-9-3-1-2-4-11(9)12/h1-6,8H,7H2
InChIKeyYNYZFOHKCXXDFT-UHFFFAOYSA-N
MW204.66 g/mol
LogP3.23
Rot. Bonds2

About 2-(1-chloronaphthalen-2-yl)acetaldehyde

2-(1-chloronaphthalen-2-yl)acetaldehyde (PubChem CID 54518324) has the molecular formula C12H9ClO and a molecular weight of 204.66 g/mol. Its IUPAC name is 2-(1-chloronaphthalen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1-chloronaphthalen-2-yl)acetaldehyde
PubChem CID54518324
Molecular FormulaC12H9ClO
Molecular Weight204.66 g/mol
Exact Mass204.03
IUPAC Name2-(1-chloronaphthalen-2-yl)acetaldehyde
SMILESO=CCc1ccc2ccccc2c1Cl
InChIInChI=1S/C12H9ClO/c13-12-10(7-8-14)6-5-9-3-1-2-4-11(9)12/h1-6,8H,7H2
InChIKeyYNYZFOHKCXXDFT-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 53.23
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-naphthalen-1-ylacetaldehyde
CID 12570786
(1-chloronaphthalen-2-yl)methanamine
CID 22286820
2-perylen-1-ylacetaldehyde
CID 152750070
3-[4-(2-oxoethyl)naphthalen-1-yl]propanal
CID 20528373
1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene
CID 176912299
2-(2-chloro-3-methylphenyl)acetaldehyde
CID 59259547
2-(1-chloronaphthalen-2-yl)-N,N'-diethylethanimidamide;hydrochloride
CID 45260207
2-tert-butyl-1-chloronaphthalene
CID 134942940
2-chloronaphthalene-1-carbaldehyde
CID 19065818
2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde
CID 87427540
2-[4,5,8-tris(2-oxoethyl)naphthalen-1-yl]acetaldehyde
CID 19065702
2-(1-chloronaphthalen-2-yl)butanal
CID 54391003

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloronaphthalen-2-yl)acetaldehyde?
The IUPAC name of 2-(1-chloronaphthalen-2-yl)acetaldehyde (CID 54518324) is 2-(1-chloronaphthalen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1-chloronaphthalen-2-yl)acetaldehyde?
The canonical SMILES for 2-(1-chloronaphthalen-2-yl)acetaldehyde is O=CCc1ccc2ccccc2c1Cl.
What is the InChIKey of 2-(1-chloronaphthalen-2-yl)acetaldehyde?
The InChIKey is YNYZFOHKCXXDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO/c13-12-10(7-8-14)6-5-9-3-1-2-4-11(9)12/h1-6,8H,7H2.
What are the key properties of 2-(1-chloronaphthalen-2-yl)acetaldehyde?
2-(1-chloronaphthalen-2-yl)acetaldehyde has a molecular weight of 204.66 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloronaphthalen-2-yl)acetaldehyde is sourced from PubChem (CID 54518324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).