1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene

C18H23O4P — CID 90989382

IUPAC1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene
SMILESCCOP(=O)(OCC)c1ccc(C)cc1OCc1ccccc1
InChIInChI=1S/C18H23O4P/c1-4-21-23(19,22-5-2)18-12-11-15(3)13-17(18)20-14-16-9-7-6-8-10-16/h6-13H,4-5,14H2,1-3H3
InChIKeyBPCUUJRBRQBSPZ-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.47
Rot. Bonds8

About 1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene

1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene (PubChem CID 90989382) has the molecular formula C18H23O4P and a molecular weight of 334.35 g/mol. Its IUPAC name is 1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene
PubChem CID90989382
Molecular FormulaC18H23O4P
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene
SMILESCCOP(=O)(OCC)c1ccc(C)cc1OCc1ccccc1
InChIInChI=1S/C18H23O4P/c1-4-21-23(19,22-5-2)18-12-11-15(3)13-17(18)20-14-16-9-7-6-8-10-16/h6-13H,4-5,14H2,1-3H3
InChIKeyBPCUUJRBRQBSPZ-UHFFFAOYSA-N
XLogP4.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
5-methyl-2-phenylmethoxybenzaldehyde
CID 1247883
N-chloro-4-methyl-2-phenylmethoxyaniline
CID 87749280
N-(4-methyl-2-phenylmethoxyphenyl)acetamide
CID 47311961
(R)-diethoxyphosphoryl-(3-ethoxy-4-phenylmethoxyphenyl)methanamine
CID 171192302
ethane;5-methyl-2-phenylmethoxybenzaldehyde
CID 142857349
2-bromo-1-(4-methyl-2-phenylmethoxyphenyl)ethanone
CID 11370597
1-diethoxyphosphoryl-4-methylnaphthalene
CID 122695096
1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene
CID 14246803
2-(bromomethyl)-4-methyl-1-phenylmethoxybenzene
CID 14885530
N-ethyl-1-(4-methyl-2-phenylmethoxyphenyl)ethanamine
CID 63640314
(S)-diethoxyphosphoryl-(4,5-dimethoxy-2-phenylmethoxyphenyl)methanamine
CID 171191970

Frequently Asked Questions

What is the IUPAC name of 1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene?
The IUPAC name of 1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene (CID 90989382) is 1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene is CCOP(=O)(OCC)c1ccc(C)cc1OCc1ccccc1.
What is the InChIKey of 1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene?
The InChIKey is BPCUUJRBRQBSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O4P/c1-4-21-23(19,22-5-2)18-12-11-15(3)13-17(18)20-14-16-9-7-6-8-10-16/h6-13H,4-5,14H2,1-3H3.
What are the key properties of 1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene?
1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene has a molecular weight of 334.35 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diethoxyphosphoryl-4-methyl-2-phenylmethoxybenzene is sourced from PubChem (CID 90989382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).