2-O-naphthalen-1-yl 1-O-phenyl oxalate

C18H12O4 — CID 57149132

IUPAC2-O-naphthalen-1-yl 1-O-phenyl oxalate
SMILESO=C(Oc1ccccc1)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C18H12O4/c19-17(21-14-9-2-1-3-10-14)18(20)22-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H
InChIKeyJBSBWJYGOSRNLW-UHFFFAOYSA-N
MW292.29 g/mol
LogP3.35
Rot. Bonds2

About 2-O-naphthalen-1-yl 1-O-phenyl oxalate

2-O-naphthalen-1-yl 1-O-phenyl oxalate (PubChem CID 57149132) has the molecular formula C18H12O4 and a molecular weight of 292.29 g/mol. Its IUPAC name is 2-O-naphthalen-1-yl 1-O-phenyl oxalate.

Molecular Properties

Compound Name2-O-naphthalen-1-yl 1-O-phenyl oxalate
PubChem CID57149132
Molecular FormulaC18H12O4
Molecular Weight292.29 g/mol
Exact Mass292.07
IUPAC Name2-O-naphthalen-1-yl 1-O-phenyl oxalate
SMILESO=C(Oc1ccccc1)C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C18H12O4/c19-17(21-14-9-2-1-3-10-14)18(20)22-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H
InChIKeyJBSBWJYGOSRNLW-UHFFFAOYSA-N
XLogP3.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-naphthalen-1-yloxy-3,4-dioxobutanoic acid
CID 54039245
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
phenyl dinaphthalen-1-yloxyphosphorylformate
CID 87699801
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
diphenyl oxalate;ethane
CID 162013592
naphthalen-1-yl 2-chloroacetate
CID 588968
naphthalen-1-yl 2-prop-2-enoxyprop-2-enoate
CID 176885863
naphthalen-1-yl 2-methylpent-2-enoate
CID 174366930
dinaphthalen-1-yl dodecanedioate
CID 14512922
naphthalen-1-yl prop-2-enoate
CID 10192638
naphthalen-1-yl N-methylcarbamate
CID 23447097

Frequently Asked Questions

What is the IUPAC name of 2-O-naphthalen-1-yl 1-O-phenyl oxalate?
The IUPAC name of 2-O-naphthalen-1-yl 1-O-phenyl oxalate (CID 57149132) is 2-O-naphthalen-1-yl 1-O-phenyl oxalate.
What is the SMILES notation for 2-O-naphthalen-1-yl 1-O-phenyl oxalate?
The canonical SMILES for 2-O-naphthalen-1-yl 1-O-phenyl oxalate is O=C(Oc1ccccc1)C(=O)Oc1cccc2ccccc12.
What is the InChIKey of 2-O-naphthalen-1-yl 1-O-phenyl oxalate?
The InChIKey is JBSBWJYGOSRNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O4/c19-17(21-14-9-2-1-3-10-14)18(20)22-16-12-6-8-13-7-4-5-11-15(13)16/h1-12H.
What are the key properties of 2-O-naphthalen-1-yl 1-O-phenyl oxalate?
2-O-naphthalen-1-yl 1-O-phenyl oxalate has a molecular weight of 292.29 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-naphthalen-1-yl 1-O-phenyl oxalate is sourced from PubChem (CID 57149132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).