4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde

C16H13BrO2 — CID 43364721

IUPAC4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde
SMILESO=Cc1ccc(Br)cc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C16H13BrO2/c17-14-6-4-13(10-18)16(9-14)19-15-7-5-11-2-1-3-12(11)8-15/h4-10H,1-3H2
InChIKeyYLHXRJWGLMKBIX-UHFFFAOYSA-N
MW317.18 g/mol
LogP4.54
Rot. Bonds3

About 4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde

4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde (PubChem CID 43364721) has the molecular formula C16H13BrO2 and a molecular weight of 317.18 g/mol. Its IUPAC name is 4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde.

Molecular Properties

Compound Name4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde
PubChem CID43364721
Molecular FormulaC16H13BrO2
Molecular Weight317.18 g/mol
Exact Mass316.01
IUPAC Name4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde
SMILESO=Cc1ccc(Br)cc1Oc1ccc2c(c1)CCC2
InChIInChI=1S/C16H13BrO2/c17-14-6-4-13(10-18)16(9-14)19-15-7-5-11-2-1-3-12(11)8-15/h4-10H,1-3H2
InChIKeyYLHXRJWGLMKBIX-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 54.54
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-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]methanol
CID 43174103
4-bromo-2-(4-fluorophenoxy)benzaldehyde
CID 43173970
2-(1,3-benzodioxol-5-yloxy)-4-bromobenzaldehyde
CID 43364678
[4-bromo-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]methanol
CID 63539756
1-[4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)phenyl]ethanol
CID 82970896
4-(5-bromo-2-formylphenoxy)benzonitrile
CID 43364710
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
CID 23433219
(5-bromo-2-formylphenyl) hypochlorite
CID 22608477
4-bromo-2-(4-bromo-2-chlorophenoxy)benzaldehyde
CID 43364723
4-bromo-2-(2,6-dimethylphenoxy)benzaldehyde
CID 43364688
2-(4-bromophenoxy)benzaldehyde
CID 28604058

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde?
The IUPAC name of 4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde (CID 43364721) is 4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde.
What is the SMILES notation for 4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde?
The canonical SMILES for 4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde is O=Cc1ccc(Br)cc1Oc1ccc2c(c1)CCC2.
What is the InChIKey of 4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde?
The InChIKey is YLHXRJWGLMKBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrO2/c17-14-6-4-13(10-18)16(9-14)19-15-7-5-11-2-1-3-12(11)8-15/h4-10H,1-3H2.
What are the key properties of 4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde?
4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde has a molecular weight of 317.18 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2,3-dihydro-1H-inden-5-yloxy)benzaldehyde is sourced from PubChem (CID 43364721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).