(2-methyl-1-phosphorosooxypropan-2-yl)benzene

C10H13O2P — CID 175140149

IUPAC(2-methyl-1-phosphorosooxypropan-2-yl)benzene
SMILESCC(C)(COP=O)c1ccccc1
InChIInChI=1S/C10H13O2P/c1-10(2,8-12-13-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyOKFDDAQGXGYPAK-UHFFFAOYSA-N
MW196.19 g/mol
LogP3.19
Rot. Bonds4

About (2-methyl-1-phosphorosooxypropan-2-yl)benzene

(2-methyl-1-phosphorosooxypropan-2-yl)benzene (PubChem CID 175140149) has the molecular formula C10H13O2P and a molecular weight of 196.19 g/mol. Its IUPAC name is (2-methyl-1-phosphorosooxypropan-2-yl)benzene.

Molecular Properties

Compound Name(2-methyl-1-phosphorosooxypropan-2-yl)benzene
PubChem CID175140149
Molecular FormulaC10H13O2P
Molecular Weight196.19 g/mol
Exact Mass196.07
IUPAC Name(2-methyl-1-phosphorosooxypropan-2-yl)benzene
SMILESCC(C)(COP=O)c1ccccc1
InChIInChI=1S/C10H13O2P/c1-10(2,8-12-13-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyOKFDDAQGXGYPAK-UHFFFAOYSA-N
XLogP3.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-methyl-1-phosphorosooxypropan-2-yl)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

(2-methyl-2-phenylpropyl) hydrogen carbonate
CID 150979314
(2-methyl-2-phenylpropyl) prop-2-enoate
CID 141318899
(2-methyl-2-phenylpropyl) hydrogen selenate
CID 174978550
aluminum;(2-methyl-2-phenylpropyl) acetate;trichloride
CID 68741763
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
ethyl formate;2-methylbutan-2-ylbenzene
CID 174608198
(2,4,4,6-tetramethyl-6-phenylheptan-2-yl)benzene
CID 164800464
iodo-tris(2-methyl-2-phenylpropyl)stannane
CID 12970290
[2-methyl-4-(3-methyl-3-phenylbutoxy)butan-2-yl]benzene
CID 70593938
1-ethoxy-4-(2-methyl-1-phenylmethoxypropan-2-yl)benzene
CID 142632162
[4-hydroperoxy-4-(2-hydroperoxy-4-methyl-4-phenylpentan-2-yl)peroxy-2-methylpentan-2-yl]benzene
CID 21406617
[(2S)-4-methyl-1-oxo-4-phenylpentan-2-yl] carbamate
CID 87659192

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phosphorosooxypropan-2-yl)benzene?
The IUPAC name of (2-methyl-1-phosphorosooxypropan-2-yl)benzene (CID 175140149) is (2-methyl-1-phosphorosooxypropan-2-yl)benzene.
What is the SMILES notation for (2-methyl-1-phosphorosooxypropan-2-yl)benzene?
The canonical SMILES for (2-methyl-1-phosphorosooxypropan-2-yl)benzene is CC(C)(COP=O)c1ccccc1.
What is the InChIKey of (2-methyl-1-phosphorosooxypropan-2-yl)benzene?
The InChIKey is OKFDDAQGXGYPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O2P/c1-10(2,8-12-13-11)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of (2-methyl-1-phosphorosooxypropan-2-yl)benzene?
(2-methyl-1-phosphorosooxypropan-2-yl)benzene has a molecular weight of 196.19 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-phosphorosooxypropan-2-yl)benzene is sourced from PubChem (CID 175140149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).