(2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate

C24H16O4 — CID 153408340

IUPAC(2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate
SMILESO=C=C1C=CC=CC1OC(=O)Oc1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C24H16O4/c25-16-18-9-2-5-14-22(18)27-24(26)28-23-15-6-4-12-21(23)20-13-7-10-17-8-1-3-11-19(17)20/h1-15,22H
InChIKeySFMXMMJUUKPPNE-UHFFFAOYSA-N
MW368.39 g/mol
LogP5.27
Rot. Bonds3

About (2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate

(2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate (PubChem CID 153408340) has the molecular formula C24H16O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is (2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate.

Molecular Properties

Compound Name(2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate
PubChem CID153408340
Molecular FormulaC24H16O4
Molecular Weight368.39 g/mol
Exact Mass368.10
IUPAC Name(2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate
SMILESO=C=C1C=CC=CC1OC(=O)Oc1ccccc1-c1cccc2ccccc12
InChIInChI=1S/C24H16O4/c25-16-18-9-2-5-14-22(18)27-24(26)28-23-15-6-4-12-21(23)20-13-7-10-17-8-1-3-11-19(17)20/h1-15,22H
InChIKeySFMXMMJUUKPPNE-UHFFFAOYSA-N
XLogP5.27
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate?
The IUPAC name of (2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate (CID 153408340) is (2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate.
What is the SMILES notation for (2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate?
The canonical SMILES for (2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate is O=C=C1C=CC=CC1OC(=O)Oc1ccccc1-c1cccc2ccccc12.
What is the InChIKey of (2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate?
The InChIKey is SFMXMMJUUKPPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16O4/c25-16-18-9-2-5-14-22(18)27-24(26)28-23-15-6-4-12-21(23)20-13-7-10-17-8-1-3-11-19(17)20/h1-15,22H.
What are the key properties of (2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate?
(2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate has a molecular weight of 368.39 g/mol, XLogP of 5.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-naphthalen-1-ylphenyl) [6-(oxomethylidene)cyclohexa-2,4-dien-1-yl] carbonate is sourced from PubChem (CID 153408340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).