4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide

C12H10O2P+ — CID 123980732

IUPAC4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide
SMILESC=CC=c1o[p+](=O)c2ccccc2c1=C
InChIInChI=1S/C12H10O2P/c1-3-6-11-9(2)10-7-4-5-8-12(10)15(13)14-11/h3-8H,1-2H2/q+1
InChIKeyBYNLFIHLZHPLED-UHFFFAOYSA-N
MW217.18 g/mol
LogP2.55
Rot. Bonds1

About 4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide

4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide (PubChem CID 123980732) has the molecular formula C12H10O2P+ and a molecular weight of 217.18 g/mol. Its IUPAC name is 4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide.

Molecular Properties

Compound Name4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide
PubChem CID123980732
Molecular FormulaC12H10O2P+
Molecular Weight217.18 g/mol
Exact Mass217.04
IUPAC Name4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide
SMILESC=CC=c1o[p+](=O)c2ccccc2c1=C
InChIInChI=1S/C12H10O2P/c1-3-6-11-9(2)10-7-4-5-8-12(10)15(13)14-11/h3-8H,1-2H2/q+1
InChIKeyBYNLFIHLZHPLED-UHFFFAOYSA-N
XLogP2.55
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran
CID 144636114
benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;methyl prop-2-enoate
CID 162094709
(3E)-8-methyl-4-methylidene-3-prop-2-enylideneisochromen-1-one
CID 144886948
(10E)-9-methylidene-10-prop-2-enylidenephenanthrene
CID 145283631
2-benzylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 19595781
4-propan-2-ylbenzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 19595742
2-(1-phenylethyl)benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide
CID 19595776
1-methylcyclohexa-1,3-diene;(2E)-3-methylidene-2-prop-2-enylidene-1-benzofuran;prop-1-ene
CID 177209632
(3Z)-2-methylidene-3-prop-2-enylidene-1H-indole
CID 142891286
(19E)-20-methylidene-19-prop-2-enylidene-14,18-diazahexacyclo[12.10.0.02,7.08,13.015,23.017,21]tetracosa-1(24),2,4,6,8,10,12,15,17(21),22-decaene
CID 144906732
benzo[c][2,1]benzoxaphosphinin-6-ium 6-oxide;hydroxy-[2-(2-hydroxyphenyl)phenyl]-oxophosphanium;hydrate
CID 158608663
(2E)-1-ethyl-3-methylidene-2-prop-2-enylideneindole
CID 126631875

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide?
The IUPAC name of 4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide (CID 123980732) is 4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide.
What is the SMILES notation for 4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide?
The canonical SMILES for 4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide is C=CC=c1o[p+](=O)c2ccccc2c1=C.
What is the InChIKey of 4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide?
The InChIKey is BYNLFIHLZHPLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2P/c1-3-6-11-9(2)10-7-4-5-8-12(10)15(13)14-11/h3-8H,1-2H2/q+1.
What are the key properties of 4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide?
4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide has a molecular weight of 217.18 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-prop-2-enylidene-2,1-benzoxaphosphinin-1-ium 1-oxide is sourced from PubChem (CID 123980732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).