2-methoxy-2-phenylbenzo[f][1,3]benzodioxole

C18H14O3 — CID 4146628

IUPAC2-methoxy-2-phenylbenzo[f][1,3]benzodioxole
SMILESCOC1(c2ccccc2)Oc2cc3ccccc3cc2O1
InChIInChI=1S/C18H14O3/c1-19-18(15-9-3-2-4-10-15)20-16-11-13-7-5-6-8-14(13)12-17(16)21-18/h2-12H,1H3
InChIKeyYEQGIRLALDFQNE-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.07
Rot. Bonds2

About 2-methoxy-2-phenylbenzo[f][1,3]benzodioxole

2-methoxy-2-phenylbenzo[f][1,3]benzodioxole (PubChem CID 4146628) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-methoxy-2-phenylbenzo[f][1,3]benzodioxole.

Molecular Properties

Compound Name2-methoxy-2-phenylbenzo[f][1,3]benzodioxole
PubChem CID4146628
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name2-methoxy-2-phenylbenzo[f][1,3]benzodioxole
SMILESCOC1(c2ccccc2)Oc2cc3ccccc3cc2O1
InChIInChI=1S/C18H14O3/c1-19-18(15-9-3-2-4-10-15)20-16-11-13-7-5-6-8-14(13)12-17(16)21-18/h2-12H,1H3
InChIKeyYEQGIRLALDFQNE-UHFFFAOYSA-N
XLogP4.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenylbenzo[f][1,3]benzodioxole?
The IUPAC name of 2-methoxy-2-phenylbenzo[f][1,3]benzodioxole (CID 4146628) is 2-methoxy-2-phenylbenzo[f][1,3]benzodioxole.
What is the SMILES notation for 2-methoxy-2-phenylbenzo[f][1,3]benzodioxole?
The canonical SMILES for 2-methoxy-2-phenylbenzo[f][1,3]benzodioxole is COC1(c2ccccc2)Oc2cc3ccccc3cc2O1.
What is the InChIKey of 2-methoxy-2-phenylbenzo[f][1,3]benzodioxole?
The InChIKey is YEQGIRLALDFQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-19-18(15-9-3-2-4-10-15)20-16-11-13-7-5-6-8-14(13)12-17(16)21-18/h2-12H,1H3.
What are the key properties of 2-methoxy-2-phenylbenzo[f][1,3]benzodioxole?
2-methoxy-2-phenylbenzo[f][1,3]benzodioxole has a molecular weight of 278.31 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenylbenzo[f][1,3]benzodioxole is sourced from PubChem (CID 4146628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).