2-[2-(1H-inden-2-yl)phenyl]benzaldehyde

C22H16O — CID 175687108

IUPAC2-[2-(1H-inden-2-yl)phenyl]benzaldehyde
SMILESO=Cc1ccccc1-c1ccccc1C1=Cc2ccccc2C1
InChIInChI=1S/C22H16O/c23-15-18-9-3-4-10-20(18)22-12-6-5-11-21(22)19-13-16-7-1-2-8-17(16)14-19/h1-13,15H,14H2
InChIKeyRLPMBXNBPUDXAW-UHFFFAOYSA-N
MW296.37 g/mol
LogP5.26
Rot. Bonds3

About 2-[2-(1H-inden-2-yl)phenyl]benzaldehyde

2-[2-(1H-inden-2-yl)phenyl]benzaldehyde (PubChem CID 175687108) has the molecular formula C22H16O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(1H-inden-2-yl)phenyl]benzaldehyde.

Molecular Properties

Compound Name2-[2-(1H-inden-2-yl)phenyl]benzaldehyde
PubChem CID175687108
Molecular FormulaC22H16O
Molecular Weight296.37 g/mol
Exact Mass296.12
IUPAC Name2-[2-(1H-inden-2-yl)phenyl]benzaldehyde
SMILESO=Cc1ccccc1-c1ccccc1C1=Cc2ccccc2C1
InChIInChI=1S/C22H16O/c23-15-18-9-3-4-10-20(18)22-12-6-5-11-21(22)19-13-16-7-1-2-8-17(16)14-19/h1-13,15H,14H2
InChIKeyRLPMBXNBPUDXAW-UHFFFAOYSA-N
XLogP5.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.37
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
2-[2-[2-(1H-inden-2-yl)phenyl]phenyl]-1H-indene;iodo(iodosyl)phosphane;2-(2-iodophenyl)-1H-indene
CID 161212545
2-(2-phenylphenyl)benzaldehyde
CID 11322869
1-ethyl-4-(1H-inden-2-yl)naphthalene
CID 22347915
2-[4-(2-formylphenyl)naphthalen-1-yl]benzaldehyde
CID 10806790
3-(1H-inden-2-yl)-1H-inden-2-ol
CID 20693143
2-(2-hydroxyphenyl)benzaldehyde
CID 15593934
2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene
CID 173161752
2-(4-phenylphenyl)-1H-indene;zirconium
CID 174373323
2-[3-(1H-inden-2-yl)phenyl]-1H-indene
CID 159714267
2-[2-[2-(3aH-inden-2-yl)phenyl]phenyl]-1H-indene;hafnium;dichloride
CID 173244135
3-(3-formylazulen-1-yl)azulene-1-carbaldehyde
CID 10591039

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-inden-2-yl)phenyl]benzaldehyde?
The IUPAC name of 2-[2-(1H-inden-2-yl)phenyl]benzaldehyde (CID 175687108) is 2-[2-(1H-inden-2-yl)phenyl]benzaldehyde.
What is the SMILES notation for 2-[2-(1H-inden-2-yl)phenyl]benzaldehyde?
The canonical SMILES for 2-[2-(1H-inden-2-yl)phenyl]benzaldehyde is O=Cc1ccccc1-c1ccccc1C1=Cc2ccccc2C1.
What is the InChIKey of 2-[2-(1H-inden-2-yl)phenyl]benzaldehyde?
The InChIKey is RLPMBXNBPUDXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O/c23-15-18-9-3-4-10-20(18)22-12-6-5-11-21(22)19-13-16-7-1-2-8-17(16)14-19/h1-13,15H,14H2.
What are the key properties of 2-[2-(1H-inden-2-yl)phenyl]benzaldehyde?
2-[2-(1H-inden-2-yl)phenyl]benzaldehyde has a molecular weight of 296.37 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-inden-2-yl)phenyl]benzaldehyde is sourced from PubChem (CID 175687108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).