2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one

C29H27O2P — CID 159826180

IUPAC2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one
SMILESCOC(C)(C(=O)c1cccc(-c2ccc(-c3ccc(CP)cc3)cc2)c1)c1ccccc1
InChIInChI=1S/C29H27O2P/c1-29(31-2,27-9-4-3-5-10-27)28(30)26-8-6-7-25(19-26)24-17-15-23(16-18-24)22-13-11-21(20-32)12-14-22/h3-19H,20,32H2,1-2H3
InChIKeyDQMKLZKZDGFFAG-UHFFFAOYSA-N
MW438.51 g/mol
LogP7.14
Rot. Bonds7

About 2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one

2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one (PubChem CID 159826180) has the molecular formula C29H27O2P and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one
PubChem CID159826180
Molecular FormulaC29H27O2P
Molecular Weight438.51 g/mol
Exact Mass438.17
IUPAC Name2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one
SMILESCOC(C)(C(=O)c1cccc(-c2ccc(-c3ccc(CP)cc3)cc2)c1)c1ccccc1
InChIInChI=1S/C29H27O2P/c1-29(31-2,27-9-4-3-5-10-27)28(30)26-8-6-7-25(19-26)24-17-15-23(16-18-24)22-13-11-21(20-32)12-14-22/h3-19H,20,32H2,1-2H3
InChIKeyDQMKLZKZDGFFAG-UHFFFAOYSA-N
XLogP7.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.51
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one?
The IUPAC name of 2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one (CID 159826180) is 2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one.
What is the SMILES notation for 2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one?
The canonical SMILES for 2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one is COC(C)(C(=O)c1cccc(-c2ccc(-c3ccc(CP)cc3)cc2)c1)c1ccccc1.
What is the InChIKey of 2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one?
The InChIKey is DQMKLZKZDGFFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27O2P/c1-29(31-2,27-9-4-3-5-10-27)28(30)26-8-6-7-25(19-26)24-17-15-23(16-18-24)22-13-11-21(20-32)12-14-22/h3-19H,20,32H2,1-2H3.
What are the key properties of 2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one?
2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one has a molecular weight of 438.51 g/mol, XLogP of 7.14, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one is sourced from PubChem (CID 159826180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).