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

C30H30O2P2 — CID 159826182

IUPAC2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one
SMILESCOC(C)(C(=O)c1cccc(-c2ccc(-c3ccc(CP)cc3)cc2)c1)c1ccc(CP)cc1
InChIInChI=1S/C30H30O2P2/c1-30(32-2,28-16-8-22(20-34)9-17-28)29(31)27-5-3-4-26(18-27)25-14-12-24(13-15-25)23-10-6-21(19-33)7-11-23/h3-18H,19-20,33-34H2,1-2H3
InChIKeySMFJLMNTDKXIJZ-UHFFFAOYSA-N
MW484.52 g/mol
LogP7.52
Rot. Bonds8

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

2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one (PubChem CID 159826182) has the molecular formula C30H30O2P2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one.

Molecular Properties

Compound Name2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one
PubChem CID159826182
Molecular FormulaC30H30O2P2
Molecular Weight484.52 g/mol
Exact Mass484.17
IUPAC Name2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one
SMILESCOC(C)(C(=O)c1cccc(-c2ccc(-c3ccc(CP)cc3)cc2)c1)c1ccc(CP)cc1
InChIInChI=1S/C30H30O2P2/c1-30(32-2,28-16-8-22(20-34)9-17-28)29(31)27-5-3-4-26(18-27)25-14-12-24(13-15-25)23-10-6-21(19-33)7-11-23/h3-18H,19-20,33-34H2,1-2H3
InChIKeySMFJLMNTDKXIJZ-UHFFFAOYSA-N
XLogP7.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-2-phenyl-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one
CID 159826180
1-[4-[4-(3,4-dimethylphenyl)phenyl]phenyl]-2-methoxy-2-(4-methylphenyl)propan-1-one
CID 158724320
[4-[4-[4-[2-methoxy-2-[4-(2-methylprop-2-enoyloxy)phenyl]propanoyl]phenyl]phenyl]phenyl] 2-methylprop-2-enoate
CID 159160095
tert-butyl azulene-5-carboxylate
CID 67371592
3-[4-[(E)-4-methoxy-4-oxobut-2-en-2-yl]phenyl]benzoic acid
CID 82543496
3-(4-butylphenyl)benzoic acid
CID 2757303
3-(4-tert-butylphenyl)-2,2-dimethyl-1-(4-phenylphenyl)propan-1-one
CID 100928850
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
2,2-dimethyl-1-[3-(1H-pyrazol-4-yl)phenyl]propan-1-one
CID 121354891
3-(4-carboxyphenyl)benzoic acid
CID 11550488
[4-(2-methoxy-1-oxo-1-phenylpropan-2-yl)phenyl] 2-methylprop-2-enoate
CID 100944603
3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide
CID 39782664

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one?
The IUPAC name of 2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one (CID 159826182) is 2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one.
What is the SMILES notation for 2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one?
The canonical SMILES for 2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one is COC(C)(C(=O)c1cccc(-c2ccc(-c3ccc(CP)cc3)cc2)c1)c1ccc(CP)cc1.
What is the InChIKey of 2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one?
The InChIKey is SMFJLMNTDKXIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O2P2/c1-30(32-2,28-16-8-22(20-34)9-17-28)29(31)27-5-3-4-26(18-27)25-14-12-24(13-15-25)23-10-6-21(19-33)7-11-23/h3-18H,19-20,33-34H2,1-2H3.
What are the key properties of 2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one?
2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one has a molecular weight of 484.52 g/mol, XLogP of 7.52, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[4-(phosphanylmethyl)phenyl]-1-[3-[4-[4-(phosphanylmethyl)phenyl]phenyl]phenyl]propan-1-one is sourced from PubChem (CID 159826182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).