3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde

C16H12O — CID 141067337

IUPAC3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2cc1C1C=CC=C1
InChIInChI=1S/C16H12O/c17-11-15-9-13-7-3-4-8-14(13)10-16(15)12-5-1-2-6-12/h1-12H
InChIKeyZCRDJDBLGCEXJU-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.86
Rot. Bonds2

About 3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde

3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde (PubChem CID 141067337) has the molecular formula C16H12O and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde
PubChem CID141067337
Molecular FormulaC16H12O
Molecular Weight220.27 g/mol
Exact Mass220.09
IUPAC Name3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde
SMILESO=Cc1cc2ccccc2cc1C1C=CC=C1
InChIInChI=1S/C16H12O/c17-11-15-9-13-7-3-4-8-14(13)10-16(15)12-5-1-2-6-12/h1-12H
InChIKeyZCRDJDBLGCEXJU-UHFFFAOYSA-N
XLogP3.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.86
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 3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde?
The IUPAC name of 3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde (CID 141067337) is 3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde is O=Cc1cc2ccccc2cc1C1C=CC=C1.
What is the InChIKey of 3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde?
The InChIKey is ZCRDJDBLGCEXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O/c17-11-15-9-13-7-3-4-8-14(13)10-16(15)12-5-1-2-6-12/h1-12H.
What are the key properties of 3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde?
3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde has a molecular weight of 220.27 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-ylnaphthalene-2-carbaldehyde is sourced from PubChem (CID 141067337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).