2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde

C17H16O2 — CID 55224942

IUPAC2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
SMILESO=Cc1ccccc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H16O2/c18-12-15-7-3-4-8-17(15)19-16-10-9-13-5-1-2-6-14(13)11-16/h3-4,7-12H,1-2,5-6H2
InChIKeyKSWWABGQQYNJFZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.17
Rot. Bonds3

About 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde

2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde (PubChem CID 55224942) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
PubChem CID55224942
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
SMILESO=Cc1ccccc1Oc1ccc2c(c1)CCCC2
InChIInChI=1S/C17H16O2/c18-12-15-7-3-4-8-17(15)19-16-10-9-13-5-1-2-6-14(13)11-16/h3-4,7-12H,1-2,5-6H2
InChIKeyKSWWABGQQYNJFZ-UHFFFAOYSA-N
XLogP4.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde?
The IUPAC name of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde (CID 55224942) is 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde.
What is the SMILES notation for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde?
The canonical SMILES for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde is O=Cc1ccccc1Oc1ccc2c(c1)CCCC2.
What is the InChIKey of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde?
The InChIKey is KSWWABGQQYNJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-12-15-7-3-4-8-17(15)19-16-10-9-13-5-1-2-6-14(13)11-16/h3-4,7-12H,1-2,5-6H2.
What are the key properties of 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde?
2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde has a molecular weight of 252.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde is sourced from PubChem (CID 55224942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).