chlorophosphonic acid;1-methyl-4-phenoxybenzene

C13H14ClO4P — CID 88791217

IUPACchlorophosphonic acid;1-methyl-4-phenoxybenzene
SMILESCc1ccc(Oc2ccccc2)cc1.O=P(O)(O)Cl
InChIInChI=1S/C13H12O.ClH2O3P/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-5(2,3)4/h2-10H,1H3;(H2,2,3,4)
InChIKeyRXSCIWVHBFCYEN-UHFFFAOYSA-N
MW300.68 g/mol
LogP4.11
Rot. Bonds2

About chlorophosphonic acid;1-methyl-4-phenoxybenzene

chlorophosphonic acid;1-methyl-4-phenoxybenzene (PubChem CID 88791217) has the molecular formula C13H14ClO4P and a molecular weight of 300.68 g/mol. Its IUPAC name is chlorophosphonic acid;1-methyl-4-phenoxybenzene.

Molecular Properties

Compound Namechlorophosphonic acid;1-methyl-4-phenoxybenzene
PubChem CID88791217
Molecular FormulaC13H14ClO4P
Molecular Weight300.68 g/mol
Exact Mass300.03
IUPAC Namechlorophosphonic acid;1-methyl-4-phenoxybenzene
SMILESCc1ccc(Oc2ccccc2)cc1.O=P(O)(O)Cl
InChIInChI=1S/C13H12O.ClH2O3P/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-5(2,3)4/h2-10H,1H3;(H2,2,3,4)
InChIKeyRXSCIWVHBFCYEN-UHFFFAOYSA-N
XLogP4.11
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.68
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methylphenoxy)phenyl]-(4-phenoxyphenyl)methanone
CID 139804572
1-methyl-4-phenoxybenzene;phthalic acid
CID 70486584
[3-(4-methylphenoxy)phenyl] dihydrogen phosphate
CID 19105360
ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
CID 142829586
(4-methylphenyl)-(4-phenoxyphenyl)borinic acid
CID 140548117
1-[2,2-bis(4-methylphenyl)-1-[4-[4-[(Z)-2-(4-methylphenyl)-1,2-diphenylethenyl]phenoxy]phenyl]ethenyl]-4-methylbenzene
CID 58942110
[hydroxy(phenoxy)phosphoryl] bis(4-methylphenyl) phosphate
CID 87480708
ethane-1,2-diol;phenoxybenzene;phosphoric acid
CID 175293363
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene
CID 20750497
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium
CID 23393598
4-bis(4-phenoxyphenyl)phosphorylphenol
CID 22491596

Frequently Asked Questions

What is the IUPAC name of chlorophosphonic acid;1-methyl-4-phenoxybenzene?
The IUPAC name of chlorophosphonic acid;1-methyl-4-phenoxybenzene (CID 88791217) is chlorophosphonic acid;1-methyl-4-phenoxybenzene.
What is the SMILES notation for chlorophosphonic acid;1-methyl-4-phenoxybenzene?
The canonical SMILES for chlorophosphonic acid;1-methyl-4-phenoxybenzene is Cc1ccc(Oc2ccccc2)cc1.O=P(O)(O)Cl.
What is the InChIKey of chlorophosphonic acid;1-methyl-4-phenoxybenzene?
The InChIKey is RXSCIWVHBFCYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O.ClH2O3P/c1-11-7-9-13(10-8-11)14-12-5-3-2-4-6-12;1-5(2,3)4/h2-10H,1H3;(H2,2,3,4).
What are the key properties of chlorophosphonic acid;1-methyl-4-phenoxybenzene?
chlorophosphonic acid;1-methyl-4-phenoxybenzene has a molecular weight of 300.68 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorophosphonic acid;1-methyl-4-phenoxybenzene is sourced from PubChem (CID 88791217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).