CID 25169815

C25H24O2P — CID 25169815

IUPAC—
SMILESC=C(C)C(OC(=O)[C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)C(=C)C
InChIInChI=1S/C25H24O2P/c1-18(2)24(19(3)4)27-25(26)22-16-11-17-23(22)28(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-17,24H,1,3H2,2,4H3
InChIKeyMGIYCODDMNRUFT-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.92
Rot. Bonds7

About CID 25169815

CID 25169815 (PubChem CID 25169815) has the molecular formula C25H24O2P and a molecular weight of 387.44 g/mol.

Molecular Properties

Compound NameCID 25169815
PubChem CID25169815
Molecular FormulaC25H24O2P
Molecular Weight387.44 g/mol
Exact Mass387.15
IUPAC Name—
SMILESC=C(C)C(OC(=O)[C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)C(=C)C
InChIInChI=1S/C25H24O2P/c1-18(2)24(19(3)4)27-25(26)22-16-11-17-23(22)28(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-17,24H,1,3H2,2,4H3
InChIKeyMGIYCODDMNRUFT-UHFFFAOYSA-N
XLogP4.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 25169815?
The IUPAC name of CID 25169815 (CID 25169815) is not available.
What is the SMILES notation for CID 25169815?
The canonical SMILES for CID 25169815 is C=C(C)C(OC(=O)[C]1[CH][CH][CH][C]1P(c1ccccc1)c1ccccc1)C(=C)C.
What is the InChIKey of CID 25169815?
The InChIKey is MGIYCODDMNRUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2P/c1-18(2)24(19(3)4)27-25(26)22-16-11-17-23(22)28(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-17,24H,1,3H2,2,4H3.
What are the key properties of CID 25169815?
CID 25169815 has a molecular weight of 387.44 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 25169815 is sourced from PubChem (CID 25169815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).