ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid

C12H17O3P — CID 143613113

IUPACethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESCC.O=C(O)C1CCc2cc(P)ccc2O1
InChIInChI=1S/C10H11O3P.C2H6/c11-10(12)9-3-1-6-5-7(14)2-4-8(6)13-9;1-2/h2,4-5,9H,1,3,14H2,(H,11,12);1-2H3
InChIKeyYNQDCCPDGVNXHU-UHFFFAOYSA-N
MW240.24 g/mol
LogP1.99
Rot. Bonds1

About ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid

ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid (PubChem CID 143613113) has the molecular formula C12H17O3P and a molecular weight of 240.24 g/mol. Its IUPAC name is ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid.

Molecular Properties

Compound Nameethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid
PubChem CID143613113
Molecular FormulaC12H17O3P
Molecular Weight240.24 g/mol
Exact Mass240.09
IUPAC Nameethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid
SMILESCC.O=C(O)C1CCc2cc(P)ccc2O1
InChIInChI=1S/C10H11O3P.C2H6/c11-10(12)9-3-1-6-5-7(14)2-4-8(6)13-9;1-2/h2,4-5,9H,1,3,14H2,(H,11,12);1-2H3
InChIKeyYNQDCCPDGVNXHU-UHFFFAOYSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-methyl-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 94865790
(2S)-6-methoxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 70048394
6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;hydrate
CID 141330874
7-hydroxy-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 18005850
ethane;1-(6-methyl-3,4-dihydro-2H-chromen-2-yl)propan-1-one
CID 143613083
6-(butylsulfamoyl)-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 54054538
6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid;piperidine-1-carboxamide
CID 69467319
2-chloro-1-(6-fluoro-3,4-dihydro-2H-chromen-2-yl)ethanone;ethane
CID 143652551
(2R)-6-chloro-3,4-dihydro-2H-chromene-2-carboxamide
CID 66893695
6-hydroxy-3,4-dihydro-2H-chromene-2-carboxylate
CID 21283842
6-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3,4-dihydro-2H-chromene-2-carboxylic acid
CID 174225433
6-bromo-N-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 102567999

Frequently Asked Questions

What is the IUPAC name of ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid?
The IUPAC name of ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid (CID 143613113) is ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid.
What is the SMILES notation for ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid?
The canonical SMILES for ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid is CC.O=C(O)C1CCc2cc(P)ccc2O1.
What is the InChIKey of ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid?
The InChIKey is YNQDCCPDGVNXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O3P.C2H6/c11-10(12)9-3-1-6-5-7(14)2-4-8(6)13-9;1-2/h2,4-5,9H,1,3,14H2,(H,11,12);1-2H3.
What are the key properties of ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid?
ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid has a molecular weight of 240.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-phosphanyl-3,4-dihydro-2H-chromene-2-carboxylic acid is sourced from PubChem (CID 143613113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).