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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Related Compounds

5-(4-methylphenyl)-2,3-dihydro-1H-indene
CID 59217485
5-(4-fluorophenyl)-2,3-dihydro-1H-indene
CID 141092237
4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzaldehyde
CID 23433219
tricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-6-carbaldehyde
CID 101344698
5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495
4-[15,23-bis(4-formylphenyl)-25,26,27-trihydroxy-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaen-7-yl]benzaldehyde
CID 101411854
4-[N-(5,6,7,8-tetrahydronaphthalen-2-yl)anilino]benzaldehyde
CID 19030131
4-triphenylen-2-ylbenzaldehyde
CID 58078284
3,5-bis(4-formylphenyl)benzaldehyde
CID 141451191
5-[4-(4-formylphenyl)phenyl]benzene-1,3-dicarbaldehyde
CID 146019858
5-ethenyl-2,3-dihydro-1H-indene
CID 59801498
5-(2,3-dihydro-1H-inden-5-yl)-3-methyl-1,2-oxazole-4-carbaldehyde
CID 82128256

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).