(2-ethoxyphenyl)methyl phenyl carbonate

C16H16O4 — CID 69009806

IUPAC(2-ethoxyphenyl)methyl phenyl carbonate
SMILESCCOc1ccccc1COC(=O)Oc1ccccc1
InChIInChI=1S/C16H16O4/c1-2-18-15-11-7-6-8-13(15)12-19-16(17)20-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3
InChIKeyVBKDYJDKLNNTIM-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.80
Rot. Bonds5

About (2-ethoxyphenyl)methyl phenyl carbonate

(2-ethoxyphenyl)methyl phenyl carbonate (PubChem CID 69009806) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2-ethoxyphenyl)methyl phenyl carbonate.

Molecular Properties

Compound Name(2-ethoxyphenyl)methyl phenyl carbonate
PubChem CID69009806
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name(2-ethoxyphenyl)methyl phenyl carbonate
SMILESCCOc1ccccc1COC(=O)Oc1ccccc1
InChIInChI=1S/C16H16O4/c1-2-18-15-11-7-6-8-13(15)12-19-16(17)20-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3
InChIKeyVBKDYJDKLNNTIM-UHFFFAOYSA-N
XLogP3.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 (2-ethoxyphenyl)methyl phenyl carbonate?
The IUPAC name of (2-ethoxyphenyl)methyl phenyl carbonate (CID 69009806) is (2-ethoxyphenyl)methyl phenyl carbonate.
What is the SMILES notation for (2-ethoxyphenyl)methyl phenyl carbonate?
The canonical SMILES for (2-ethoxyphenyl)methyl phenyl carbonate is CCOc1ccccc1COC(=O)Oc1ccccc1.
What is the InChIKey of (2-ethoxyphenyl)methyl phenyl carbonate?
The InChIKey is VBKDYJDKLNNTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-2-18-15-11-7-6-8-13(15)12-19-16(17)20-14-9-4-3-5-10-14/h3-11H,2,12H2,1H3.
What are the key properties of (2-ethoxyphenyl)methyl phenyl carbonate?
(2-ethoxyphenyl)methyl phenyl carbonate has a molecular weight of 272.30 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)methyl phenyl carbonate is sourced from PubChem (CID 69009806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).