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

C16H14O — CID 54910359

IUPAC4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C16H14O/c17-11-12-4-6-14(7-5-12)16-9-8-13-2-1-3-15(13)10-16/h4-11H,1-3H2
InChIKeyOVQVVCNLMCSCLP-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.65
Rot. Bonds2

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

4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde (PubChem CID 54910359) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde
PubChem CID54910359
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde
SMILESO=Cc1ccc(-c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C16H14O/c17-11-12-4-6-14(7-5-12)16-9-8-13-2-1-3-15(13)10-16/h4-11H,1-3H2
InChIKeyOVQVVCNLMCSCLP-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde (CID 54910359) is 4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde is O=Cc1ccc(-c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde?
The InChIKey is OVQVVCNLMCSCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c17-11-12-4-6-14(7-5-12)16-9-8-13-2-1-3-15(13)10-16/h4-11H,1-3H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde?
4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde has a molecular weight of 222.29 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)benzaldehyde is sourced from PubChem (CID 54910359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).