2-(5-chloronaphthalen-2-yl)-2-methylpropanal

C14H13ClO — CID 105492066

IUPAC2-(5-chloronaphthalen-2-yl)-2-methylpropanal
SMILESCC(C)(C=O)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C14H13ClO/c1-14(2,9-16)11-6-7-12-10(8-11)4-3-5-13(12)15/h3-9H,1-2H3
InChIKeyPWXFLUPZHQFQAN-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.97
Rot. Bonds2

About 2-(5-chloronaphthalen-2-yl)-2-methylpropanal

2-(5-chloronaphthalen-2-yl)-2-methylpropanal (PubChem CID 105492066) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 2-(5-chloronaphthalen-2-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(5-chloronaphthalen-2-yl)-2-methylpropanal
PubChem CID105492066
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name2-(5-chloronaphthalen-2-yl)-2-methylpropanal
SMILESCC(C)(C=O)c1ccc2c(Cl)cccc2c1
InChIInChI=1S/C14H13ClO/c1-14(2,9-16)11-6-7-12-10(8-11)4-3-5-13(12)15/h3-9H,1-2H3
InChIKeyPWXFLUPZHQFQAN-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.97
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-(8-hydroxynaphthalen-2-yl)-2-methylpropanal
CID 105467590
2-(3-iodophenyl)-2-methylpropanal
CID 117047010
2-(2,3-dichlorophenyl)-2-methylpropanal
CID 131011791
2-(3-chloro-4-methylsulfanylphenyl)-2-methylpropanal
CID 105486130
2-(8-chloronaphthalen-2-yl)propan-2-amine
CID 105475106
2-(3,4-dimethylphenyl)-2-methylpropanal
CID 59042198
2-(6-methoxynaphthalen-1-yl)-2-methylpropanal
CID 105485586
6-tert-butyl-1-methylnaphthalene
CID 3019609
1-chloro-6-nitronaphthalene
CID 25003184
5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 175889277
cadmium(2+);bis(5-chloronaphthalene-2-carboxylate)
CID 22604187
bis(5-chloroanthracen-1-yl)methanone
CID 175330463

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloronaphthalen-2-yl)-2-methylpropanal?
The IUPAC name of 2-(5-chloronaphthalen-2-yl)-2-methylpropanal (CID 105492066) is 2-(5-chloronaphthalen-2-yl)-2-methylpropanal.
What is the SMILES notation for 2-(5-chloronaphthalen-2-yl)-2-methylpropanal?
The canonical SMILES for 2-(5-chloronaphthalen-2-yl)-2-methylpropanal is CC(C)(C=O)c1ccc2c(Cl)cccc2c1.
What is the InChIKey of 2-(5-chloronaphthalen-2-yl)-2-methylpropanal?
The InChIKey is PWXFLUPZHQFQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO/c1-14(2,9-16)11-6-7-12-10(8-11)4-3-5-13(12)15/h3-9H,1-2H3.
What are the key properties of 2-(5-chloronaphthalen-2-yl)-2-methylpropanal?
2-(5-chloronaphthalen-2-yl)-2-methylpropanal has a molecular weight of 232.71 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloronaphthalen-2-yl)-2-methylpropanal is sourced from PubChem (CID 105492066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).