dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane

C9H11Cl2OP — CID 88833819

IUPACdichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane
SMILESCOc1ccc(CP(Cl)Cl)c(C)c1
InChIInChI=1S/C9H11Cl2OP/c1-7-5-9(12-2)4-3-8(7)6-13(10)11/h3-5H,6H2,1-2H3
InChIKeyOJZNPHGNZROZES-UHFFFAOYSA-N
MW237.07 g/mol
LogP4.29
Rot. Bonds3

About dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane

dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane (PubChem CID 88833819) has the molecular formula C9H11Cl2OP and a molecular weight of 237.07 g/mol. Its IUPAC name is dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane.

Molecular Properties

Compound Namedichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane
PubChem CID88833819
Molecular FormulaC9H11Cl2OP
Molecular Weight237.07 g/mol
Exact Mass235.99
IUPAC Namedichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane
SMILESCOc1ccc(CP(Cl)Cl)c(C)c1
InChIInChI=1S/C9H11Cl2OP/c1-7-5-9(12-2)4-3-8(7)6-13(10)11/h3-5H,6H2,1-2H3
InChIKeyOJZNPHGNZROZES-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.07
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
4-methoxy-1-[(4-methoxyphenyl)methyl]-2-methylbenzene
CID 15654338
O-[(4-methoxy-2-methylphenyl)methyl]hydroxylamine
CID 117276532
1-(isocyanomethyl)-4-methoxy-2-methylbenzene
CID 83480247
1-(3-chloropentyl)-4-methoxy-2-methylbenzene
CID 65316392
(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148
4-[(4-methoxy-2-methylphenyl)methyl]aniline
CID 90158561
1-(3-bromo-2-methylpropyl)-4-methoxy-2-methylbenzene
CID 65316290
2-chloro-N-[(4-methoxy-2-methylphenyl)methyl]acetamide
CID 166403863
1-(2-azidoethyl)-4-methoxy-2-methylbenzene
CID 151451429
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962

Frequently Asked Questions

What is the IUPAC name of dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane?
The IUPAC name of dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane (CID 88833819) is dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane.
What is the SMILES notation for dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane?
The canonical SMILES for dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane is COc1ccc(CP(Cl)Cl)c(C)c1.
What is the InChIKey of dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane?
The InChIKey is OJZNPHGNZROZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2OP/c1-7-5-9(12-2)4-3-8(7)6-13(10)11/h3-5H,6H2,1-2H3.
What are the key properties of dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane?
dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane has a molecular weight of 237.07 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(4-methoxy-2-methylphenyl)methyl]phosphane is sourced from PubChem (CID 88833819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).