[3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene

C18H23O2P — CID 12869475

IUPAC[3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene
SMILESCC(OP(=O)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H23O2P/c1-15(18(2,3)4)20-21(19,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,1-4H3
InChIKeyXOHVCXLFLGWKBE-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.37
Rot. Bonds4

About [3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene

[3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene (PubChem CID 12869475) has the molecular formula C18H23O2P and a molecular weight of 302.35 g/mol. Its IUPAC name is [3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene.

Molecular Properties

Compound Name[3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene
PubChem CID12869475
Molecular FormulaC18H23O2P
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name[3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene
SMILESCC(OP(=O)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C18H23O2P/c1-15(18(2,3)4)20-21(19,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,1-4H3
InChIKeyXOHVCXLFLGWKBE-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene 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

[(4-diphenylphosphoryloxy-3,3-dimethylpentan-2-yl)oxy-phenylphosphoryl]benzene
CID 90416172
[tert-butyl(propan-2-yloxy)phosphoryl]benzene
CID 57270314
[5-diphenylphosphoryloxyheptan-3-yloxy(phenyl)phosphoryl]benzene
CID 90416942
1-bromo-2-(1-diphenylphosphoryloxyethyl)benzene
CID 15877454
methyl 3-diphenylphosphoryloxy-4-methylpentanoate
CID 135065538
1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene
CID 102079246
[propan-2-yl(propan-2-yloxy)phosphoryl]benzene
CID 21317872
butan-2-yloxy-[1-hydroxy-1-[hydroxy(phenyl)phosphoryl]ethyl]phosphinic acid
CID 87905295
1-[(1S)-1-diphenylphosphoryloxy-2,2,2-trifluoroethyl]-4-fluorobenzene
CID 2054839
(2,2-dichloro-1-diphenylphosphoryloxy-3,3,3-trifluoropropyl)benzene
CID 4227058
1-diphenylphosphoryloxy-2-propan-2-ylbenzene
CID 118862439
(2S)-1-[tert-butyl(phenyl)phosphoryl]propan-2-ol
CID 102355280

Frequently Asked Questions

What is the IUPAC name of [3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene?
The IUPAC name of [3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene (CID 12869475) is [3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene.
What is the SMILES notation for [3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene?
The canonical SMILES for [3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene is CC(OP(=O)(c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of [3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene?
The InChIKey is XOHVCXLFLGWKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O2P/c1-15(18(2,3)4)20-21(19,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15H,1-4H3.
What are the key properties of [3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene?
[3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene has a molecular weight of 302.35 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene is sourced from PubChem (CID 12869475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).