6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde

C15H14O2 — CID 160659327

IUPAC6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde
SMILESCC(=O)C(C)c1ccc2cc(C=O)ccc2c1
InChIInChI=1S/C15H14O2/c1-10(11(2)17)13-5-6-14-7-12(9-16)3-4-15(14)8-13/h3-10H,1-2H3
InChIKeyRLLSKAJSHSKWEU-UHFFFAOYSA-N
MW226.28 g/mol
LogP3.34
Rot. Bonds3

About 6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde

6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde (PubChem CID 160659327) has the molecular formula C15H14O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde
PubChem CID160659327
Molecular FormulaC15H14O2
Molecular Weight226.28 g/mol
Exact Mass226.10
IUPAC Name6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde
SMILESCC(=O)C(C)c1ccc2cc(C=O)ccc2c1
InChIInChI=1S/C15H14O2/c1-10(11(2)17)13-5-6-14-7-12(9-16)3-4-15(14)8-13/h3-10H,1-2H3
InChIKeyRLLSKAJSHSKWEU-UHFFFAOYSA-N
XLogP3.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
naphthalene-2,6-dicarbaldehyde
CID 159038637
6-[1-[4-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]naphthalene-2-carbaldehyde
CID 163984755
3-(6-methylsulfonylnaphthalen-2-yl)butan-2-one
CID 159692775
2-(6-acetylnaphthalen-2-yl)propanoic acid;azane
CID 173455437
6-methylnaphthalene-2-carbaldehyde
CID 6452268
5-hydroxy-7-propan-2-ylnaphthalene-2-carbaldehyde
CID 59942998
6-methylanthracene-2-carbaldehyde
CID 156805593
N-methylmethanamine;naphthalene-2-carbaldehyde
CID 174771308
2-(4-formyl-2-iodophenyl)propanoic acid
CID 134658408
4-(1-chloro-2-oxopropyl)-3-methylbenzaldehyde
CID 118807338
(2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid
CID 149459018

Frequently Asked Questions

What is the IUPAC name of 6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde?
The IUPAC name of 6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde (CID 160659327) is 6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde.
What is the SMILES notation for 6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde?
The canonical SMILES for 6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde is CC(=O)C(C)c1ccc2cc(C=O)ccc2c1.
What is the InChIKey of 6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde?
The InChIKey is RLLSKAJSHSKWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-10(11(2)17)13-5-6-14-7-12(9-16)3-4-15(14)8-13/h3-10H,1-2H3.
What are the key properties of 6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde?
6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde has a molecular weight of 226.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-oxobutan-2-yl)naphthalene-2-carbaldehyde is sourced from PubChem (CID 160659327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).