4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde

C17H16O2 — CID 23433219

IUPAC4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C17H16O2/c18-12-13-5-8-16(9-6-13)19-17-10-7-14-3-1-2-4-15(14)11-17/h5-12H,1-4H2
InChIKeyLUNYDJMLOLHEIP-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.17
Rot. Bonds3

About 4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde

4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde (PubChem CID 23433219) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
PubChem CID23433219
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
SMILESO=Cc1ccc(Oc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C17H16O2/c18-12-13-5-8-16(9-6-13)19-17-10-7-14-3-1-2-4-15(14)11-17/h5-12H,1-4H2
InChIKeyLUNYDJMLOLHEIP-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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Related Compounds

2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
CID 55224942
4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde
CID 54910359
[4-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
CID 28946173
4-(2,3-dihydro-1H-inden-5-yloxy)pyridine
CID 57051000
4-(cyclohexen-1-yloxy)benzaldehyde
CID 12032145
4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde
CID 43364721
4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde
CID 19030131
4-(4-fluorophenoxy)benzaldehyde
CID 3856802
5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyridin-3-amine
CID 113424380
4-(4-pyrrolidin-1-ylphenoxy)benzaldehyde
CID 82275259
tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde
CID 101344698
6-(3-isocyanophenoxy)-1,2,3,4-tetrahydronaphthalene
CID 58104334

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde?
The IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde (CID 23433219) is 4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde.
What is the SMILES notation for 4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde?
The canonical SMILES for 4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde is O=Cc1ccc(Oc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde?
The InChIKey is LUNYDJMLOLHEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c18-12-13-5-8-16(9-6-13)19-17-10-7-14-3-1-2-4-15(14)11-17/h5-12H,1-4H2.
What are the key properties of 4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde?
4-(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 4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde is sourced from PubChem (CID 23433219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).