2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene]

C11H13O4P — CID 23269634

IUPAC2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene]
SMILESCOP12(CC=C(C)O1)Oc1ccccc1O2
InChIInChI=1S/C11H13O4P/c1-9-7-8-16(12-2,13-9)14-10-5-3-4-6-11(10)15-16/h3-7H,8H2,1-2H3
InChIKeyPLIKIMBSZSHNMA-UHFFFAOYSA-N
MW240.19 g/mol
LogP3.25
Rot. Bonds1

About 2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene]

2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene] (PubChem CID 23269634) has the molecular formula C11H13O4P and a molecular weight of 240.19 g/mol. Its IUPAC name is 2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene].

Molecular Properties

Compound Name2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene]
PubChem CID23269634
Molecular FormulaC11H13O4P
Molecular Weight240.19 g/mol
Exact Mass240.06
IUPAC Name2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene]
SMILESCOP12(CC=C(C)O1)Oc1ccccc1O2
InChIInChI=1S/C11H13O4P/c1-9-7-8-16(12-2,13-9)14-10-5-3-4-6-11(10)15-16/h3-7H,8H2,1-2H3
InChIKeyPLIKIMBSZSHNMA-UHFFFAOYSA-N
XLogP3.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-methyl-3-phenyl-1,4,6,9-tetraoxa-5λ5-phosphaspiro[4.4]non-2-ene
CID 23418141
5-ethylsulfanyl-7-methyl-1,4,6-trioxa-5λ5-phosphaspiro[4.4]non-7-ene
CID 23262432
2,2,2-triphenyl-1,3,2λ5-benzodioxaphosphole
CID 10970687
2-trimethylsilyloxyspiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1-oxa-3-aza-2lambda5-phosphacyclopentane]-5'-one
CID 15255978
(3Z)-3-(3-methoxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
CID 90470463
2-methoxy-5-(4-methylphenyl)-2,2-diphenyl-3,3-bis(trifluoromethyl)-1,4,2λ5-oxazaphosphole
CID 23234978
2,4'-dichloro-1',3'-dimethyl-4'-(trichloromethyl)spiro[1,3,2lambda5-benzodioxaphosphole-2,2'-1,3-diaza-2lambda5-phosphacyclobutane]
CID 13354561
2,2'-spirobi[1,3-benzodioxole]
CID 10977219
sodium;hydride;4-methyl-2H-chromene
CID 173094334
2-methyl-3H-xanthene
CID 91540179
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
1,3-benzodioxole;ethane;ethene
CID 143197375

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene]?
The IUPAC name of 2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene] (CID 23269634) is 2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene].
What is the SMILES notation for 2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene]?
The canonical SMILES for 2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene] is COP12(CC=C(C)O1)Oc1ccccc1O2.
What is the InChIKey of 2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene]?
The InChIKey is PLIKIMBSZSHNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O4P/c1-9-7-8-16(12-2,13-9)14-10-5-3-4-6-11(10)15-16/h3-7H,8H2,1-2H3.
What are the key properties of 2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene]?
2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene] has a molecular weight of 240.19 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5'-methylspiro[1,3,2λ5-benzodioxaphosphole-2,2'-1-oxa-2λ5-phosphacyclopent-4-ene] is sourced from PubChem (CID 23269634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).