2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene

C25H29O2P — CID 102230338

IUPAC2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene
SMILESCOc1ccc(-c2ccccc2-c2ccccc2)c(P(=O)(C(C)C)C(C)C)c1
InChIInChI=1S/C25H29O2P/c1-18(2)28(26,19(3)4)25-17-21(27-5)15-16-24(25)23-14-10-9-13-22(23)20-11-7-6-8-12-20/h6-19H,1-5H3
InChIKeyQYPGXEOERGDBFO-UHFFFAOYSA-N
MW392.48 g/mol
LogP6.83
Rot. Bonds6

About 2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene

2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene (PubChem CID 102230338) has the molecular formula C25H29O2P and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene.

Molecular Properties

Compound Name2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene
PubChem CID102230338
Molecular FormulaC25H29O2P
Molecular Weight392.48 g/mol
Exact Mass392.19
IUPAC Name2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene
SMILESCOc1ccc(-c2ccccc2-c2ccccc2)c(P(=O)(C(C)C)C(C)C)c1
InChIInChI=1S/C25H29O2P/c1-18(2)28(26,19(3)4)25-17-21(27-5)15-16-24(25)23-14-10-9-13-22(23)20-11-7-6-8-12-20/h6-19H,1-5H3
InChIKeyQYPGXEOERGDBFO-UHFFFAOYSA-N
XLogP6.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-phenyl-1-propan-2-ylbenzene
CID 118344819
N-diethoxyphosphoryl-5-methoxy-2-phenylaniline
CID 86305310
(5-methoxy-2-phenylphenyl)silane
CID 137328723
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
5-methoxy-2-phenylphenol;propan-2-one
CID 175099013
2-methoxy-7-(2-phenylphenyl)naphthalene
CID 141340555
N-[(3-methoxyphenyl)-[5-methoxy-2-(2,3,4-triphenylnaphthalen-1-yl)phenyl]phosphoryl]-N-propan-2-ylpropan-2-amine
CID 175158397
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
3,8-dimethoxy-5,10-diphenylindeno[2,1-a]indene
CID 101491428
1-ethynyl-4-methoxy-2-phenylbenzene
CID 101442294
[4-(5-methoxy-2-phenylphenyl)phenyl]methanethiol
CID 91537786

Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene?
The IUPAC name of 2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene (CID 102230338) is 2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene.
What is the SMILES notation for 2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene?
The canonical SMILES for 2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene is COc1ccc(-c2ccccc2-c2ccccc2)c(P(=O)(C(C)C)C(C)C)c1.
What is the InChIKey of 2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene?
The InChIKey is QYPGXEOERGDBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29O2P/c1-18(2)28(26,19(3)4)25-17-21(27-5)15-16-24(25)23-14-10-9-13-22(23)20-11-7-6-8-12-20/h6-19H,1-5H3.
What are the key properties of 2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene?
2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene has a molecular weight of 392.48 g/mol, XLogP of 6.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yl)phosphoryl-4-methoxy-1-(2-phenylphenyl)benzene is sourced from PubChem (CID 102230338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).