2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate

C16H14O4 — CID 174691323

IUPAC2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate
SMILESCc1ccc(OC(=O)C(=O)Oc2ccccc2C)cc1
InChIInChI=1S/C16H14O4/c1-11-7-9-13(10-8-11)19-15(17)16(18)20-14-6-4-3-5-12(14)2/h3-10H,1-2H3
InChIKeyPOJIDYXZSCYSKV-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.81
Rot. Bonds2

About 2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate

2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate (PubChem CID 174691323) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate.

Molecular Properties

Compound Name2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate
PubChem CID174691323
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate
SMILESCc1ccc(OC(=O)C(=O)Oc2ccccc2C)cc1
InChIInChI=1S/C16H14O4/c1-11-7-9-13(10-8-11)19-15(17)16(18)20-14-6-4-3-5-12(14)2/h3-10H,1-2H3
InChIKeyPOJIDYXZSCYSKV-UHFFFAOYSA-N
XLogP2.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.81
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

1-O-(2-methylphenyl) 4-O-(4-methylphenyl) 2,3-dihydroxybutanedioate
CID 174688717
1-O-ethyl 2-O-(2-methylphenyl) oxalate
CID 6422111
(2-methylphenyl) 2-aminoprop-2-enoate
CID 174884236
bis[2-(2-methylphenyl)phenyl] oxalate
CID 70127324
(2-methylphenyl) 2-methanethioylprop-2-enoate
CID 54230018
[4-[4-[2-(2-methylphenoxy)acetyl]oxyphenyl]phenyl] 2-(2-methylphenoxy)acetate
CID 2180640
(2-methylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 19177201
diphenyl oxalate;ethane
CID 162013592
hydroxy (4-methylphenyl) carbonate
CID 142152558
2-O-(2-methylphenyl) 1-O-octadecyl oxalate
CID 6422103
(4-methylphenyl) hydrogen carbonate
CID 19016637
bis(4-methylphenyl) carbonate;ethane
CID 145416039

Frequently Asked Questions

What is the IUPAC name of 2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate?
The IUPAC name of 2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate (CID 174691323) is 2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate.
What is the SMILES notation for 2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate?
The canonical SMILES for 2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate is Cc1ccc(OC(=O)C(=O)Oc2ccccc2C)cc1.
What is the InChIKey of 2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate?
The InChIKey is POJIDYXZSCYSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-11-7-9-13(10-8-11)19-15(17)16(18)20-14-6-4-3-5-12(14)2/h3-10H,1-2H3.
What are the key properties of 2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate?
2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate has a molecular weight of 270.28 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate is sourced from PubChem (CID 174691323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).