tris(3,4-dihydro-2H-chromen-8-yl)phosphane

C27H27O3P — CID 87299813

IUPACtris(3,4-dihydro-2H-chromen-8-yl)phosphane
SMILESc1cc2c(c(P(c3cccc4c3OCCC4)c3cccc4c3OCCC4)c1)OCCC2
InChIInChI=1S/C27H27O3P/c1-7-19-10-4-16-28-25(19)22(13-1)31(23-14-2-8-20-11-5-17-29-26(20)23)24-15-3-9-21-12-6-18-30-27(21)24/h1-3,7-9,13-15H,4-6,10-12,16-18H2
InChIKeyYOWLFVKZHLMTDR-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.42
Rot. Bonds3

About tris(3,4-dihydro-2H-chromen-8-yl)phosphane

tris(3,4-dihydro-2H-chromen-8-yl)phosphane (PubChem CID 87299813) has the molecular formula C27H27O3P and a molecular weight of 430.48 g/mol. Its IUPAC name is tris(3,4-dihydro-2H-chromen-8-yl)phosphane.

Molecular Properties

Compound Nametris(3,4-dihydro-2H-chromen-8-yl)phosphane
PubChem CID87299813
Molecular FormulaC27H27O3P
Molecular Weight430.48 g/mol
Exact Mass430.17
IUPAC Nametris(3,4-dihydro-2H-chromen-8-yl)phosphane
SMILESc1cc2c(c(P(c3cccc4c3OCCC4)c3cccc4c3OCCC4)c1)OCCC2
InChIInChI=1S/C27H27O3P/c1-7-19-10-4-16-28-25(19)22(13-1)31(23-14-2-8-20-11-5-17-29-26(20)23)24-15-3-9-21-12-6-18-30-27(21)24/h1-3,7-9,13-15H,4-6,10-12,16-18H2
InChIKeyYOWLFVKZHLMTDR-UHFFFAOYSA-N
XLogP4.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tris(3,4-dihydro-2H-chromen-8-yl)phosphane?
The IUPAC name of tris(3,4-dihydro-2H-chromen-8-yl)phosphane (CID 87299813) is tris(3,4-dihydro-2H-chromen-8-yl)phosphane.
What is the SMILES notation for tris(3,4-dihydro-2H-chromen-8-yl)phosphane?
The canonical SMILES for tris(3,4-dihydro-2H-chromen-8-yl)phosphane is c1cc2c(c(P(c3cccc4c3OCCC4)c3cccc4c3OCCC4)c1)OCCC2.
What is the InChIKey of tris(3,4-dihydro-2H-chromen-8-yl)phosphane?
The InChIKey is YOWLFVKZHLMTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27O3P/c1-7-19-10-4-16-28-25(19)22(13-1)31(23-14-2-8-20-11-5-17-29-26(20)23)24-15-3-9-21-12-6-18-30-27(21)24/h1-3,7-9,13-15H,4-6,10-12,16-18H2.
What are the key properties of tris(3,4-dihydro-2H-chromen-8-yl)phosphane?
tris(3,4-dihydro-2H-chromen-8-yl)phosphane has a molecular weight of 430.48 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3,4-dihydro-2H-chromen-8-yl)phosphane is sourced from PubChem (CID 87299813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).