1-methyl-4-(phosphorosooxymethoxy)benzene

C8H9O3P — CID 174811270

IUPAC1-methyl-4-(phosphorosooxymethoxy)benzene
SMILESCc1ccc(OCOP=O)cc1
InChIInChI=1S/C8H9O3P/c1-7-2-4-8(5-3-7)10-6-11-12-9/h2-5H,6H2,1H3
InChIKeyNVGRMIIEOPHUSO-UHFFFAOYSA-N
MW184.13 g/mol
LogP2.55
Rot. Bonds4

About 1-methyl-4-(phosphorosooxymethoxy)benzene

1-methyl-4-(phosphorosooxymethoxy)benzene (PubChem CID 174811270) has the molecular formula C8H9O3P and a molecular weight of 184.13 g/mol. Its IUPAC name is 1-methyl-4-(phosphorosooxymethoxy)benzene.

Molecular Properties

Compound Name1-methyl-4-(phosphorosooxymethoxy)benzene
PubChem CID174811270
Molecular FormulaC8H9O3P
Molecular Weight184.13 g/mol
Exact Mass184.03
IUPAC Name1-methyl-4-(phosphorosooxymethoxy)benzene
SMILESCc1ccc(OCOP=O)cc1
InChIInChI=1S/C8H9O3P/c1-7-2-4-8(5-3-7)10-6-11-12-9/h2-5H,6H2,1H3
InChIKeyNVGRMIIEOPHUSO-UHFFFAOYSA-N
XLogP2.55
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.13
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methane;1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene;bis(1-methyl-4-[(4-methylphenoxy)methoxy]benzene)
CID 161180549
1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
(4-methylphenoxy)methyl dihydrogen phosphite
CID 143072711
1-(2-bromoethoxymethoxy)-4-methylbenzene
CID 165356249
1-ethoxy-4-methylbenzene;yttrium
CID 59970582
ethane;[4-[(4-methylphenoxy)methoxy]phenyl] 4-methylbenzoate
CID 90859529
4-[4-[(4-methylphenoxy)methoxy]phenyl]benzonitrile
CID 129203224
1-methyl-4-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 22218704
(4-methylphenoxy)methyl benzoate
CID 10444404
1-methyl-4-[(4-methylphenoxy)methoxy]benzene;1-methyl-4-[(E)-2-(4-methylphenyl)-1,2-diphenylethenyl]benzene
CID 158021334
1-methoxy-4-[2-(4-methylphenoxy)ethoxy]benzene
CID 2284217
[4-(4-methylphenyl)phenoxy]methanamine
CID 148562944

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(phosphorosooxymethoxy)benzene?
The IUPAC name of 1-methyl-4-(phosphorosooxymethoxy)benzene (CID 174811270) is 1-methyl-4-(phosphorosooxymethoxy)benzene.
What is the SMILES notation for 1-methyl-4-(phosphorosooxymethoxy)benzene?
The canonical SMILES for 1-methyl-4-(phosphorosooxymethoxy)benzene is Cc1ccc(OCOP=O)cc1.
What is the InChIKey of 1-methyl-4-(phosphorosooxymethoxy)benzene?
The InChIKey is NVGRMIIEOPHUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O3P/c1-7-2-4-8(5-3-7)10-6-11-12-9/h2-5H,6H2,1H3.
What are the key properties of 1-methyl-4-(phosphorosooxymethoxy)benzene?
1-methyl-4-(phosphorosooxymethoxy)benzene has a molecular weight of 184.13 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(phosphorosooxymethoxy)benzene is sourced from PubChem (CID 174811270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).