2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde

C22H18O2 — CID 156522253

IUPAC2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde
SMILESO=CCC1C=Cc2cc(C3=CCC(c4ccccc4O)=C3)ccc21
InChIInChI=1S/C22H18O2/c23-12-11-15-5-7-18-13-17(9-10-20(15)18)16-6-8-19(14-16)21-3-1-2-4-22(21)24/h1-7,9-10,12-15,24H,8,11H2
InChIKeyVRCTYDWJPDTLQG-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.96
Rot. Bonds4

About 2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde

2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde (PubChem CID 156522253) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde
PubChem CID156522253
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde
SMILESO=CCC1C=Cc2cc(C3=CCC(c4ccccc4O)=C3)ccc21
InChIInChI=1S/C22H18O2/c23-12-11-15-5-7-18-13-17(9-10-20(15)18)16-6-8-19(14-16)21-3-1-2-4-22(21)24/h1-7,9-10,12-15,24H,8,11H2
InChIKeyVRCTYDWJPDTLQG-UHFFFAOYSA-N
XLogP4.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde?
The IUPAC name of 2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde (CID 156522253) is 2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde.
What is the SMILES notation for 2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde?
The canonical SMILES for 2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde is O=CCC1C=Cc2cc(C3=CCC(c4ccccc4O)=C3)ccc21.
What is the InChIKey of 2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde?
The InChIKey is VRCTYDWJPDTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c23-12-11-15-5-7-18-13-17(9-10-20(15)18)16-6-8-19(14-16)21-3-1-2-4-22(21)24/h1-7,9-10,12-15,24H,8,11H2.
What are the key properties of 2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde?
2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde has a molecular weight of 314.38 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-1H-inden-1-yl]acetaldehyde is sourced from PubChem (CID 156522253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).