ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate

C25H20O3 — CID 69031566

IUPACethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate
SMILESCCOC(=O)Oc1ccc2ccccc2c1-c1ccccc1-c1ccccc1
InChIInChI=1S/C25H20O3/c1-2-27-25(26)28-23-17-16-19-12-6-7-14-21(19)24(23)22-15-9-8-13-20(22)18-10-4-3-5-11-18/h3-17H,2H2,1H3
InChIKeyDMDPZKSEPDEUPO-UHFFFAOYSA-N
MW368.43 g/mol
LogP6.71
Rot. Bonds4

About ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate

ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate (PubChem CID 69031566) has the molecular formula C25H20O3 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate.

Molecular Properties

Compound Nameethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate
PubChem CID69031566
Molecular FormulaC25H20O3
Molecular Weight368.43 g/mol
Exact Mass368.14
IUPAC Nameethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate
SMILESCCOC(=O)Oc1ccc2ccccc2c1-c1ccccc1-c1ccccc1
InChIInChI=1S/C25H20O3/c1-2-27-25(26)28-23-17-16-19-12-6-7-14-21(19)24(23)22-15-9-8-13-20(22)18-10-4-3-5-11-18/h3-17H,2H2,1H3
InChIKeyDMDPZKSEPDEUPO-UHFFFAOYSA-N
XLogP6.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate?
The IUPAC name of ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate (CID 69031566) is ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate.
What is the SMILES notation for ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate?
The canonical SMILES for ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate is CCOC(=O)Oc1ccc2ccccc2c1-c1ccccc1-c1ccccc1.
What is the InChIKey of ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate?
The InChIKey is DMDPZKSEPDEUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20O3/c1-2-27-25(26)28-23-17-16-19-12-6-7-14-21(19)24(23)22-15-9-8-13-20(22)18-10-4-3-5-11-18/h3-17H,2H2,1H3.
What are the key properties of ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate?
ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate has a molecular weight of 368.43 g/mol, XLogP of 6.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [1-(2-phenylphenyl)naphthalen-2-yl] carbonate is sourced from PubChem (CID 69031566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).