1,2-dihydronaphthalene;phosphoryl trichloride

C10H10Cl3OP — CID 91096847

IUPAC1,2-dihydronaphthalene;phosphoryl trichloride
SMILESC1=Cc2ccccc2CC1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C10H10.Cl3OP/c1-2-6-10-8-4-3-7-9(10)5-1;1-5(2,3)4/h1-3,5-7H,4,8H2;
InChIKeyDWIZASMGJNSXEK-UHFFFAOYSA-N
MW283.52 g/mol
LogP5.46
Rot. Bonds

About 1,2-dihydronaphthalene;phosphoryl trichloride

1,2-dihydronaphthalene;phosphoryl trichloride (PubChem CID 91096847) has the molecular formula C10H10Cl3OP and a molecular weight of 283.52 g/mol. Its IUPAC name is 1,2-dihydronaphthalene;phosphoryl trichloride.

Molecular Properties

Compound Name1,2-dihydronaphthalene;phosphoryl trichloride
PubChem CID91096847
Molecular FormulaC10H10Cl3OP
Molecular Weight283.52 g/mol
Exact Mass281.95
IUPAC Name1,2-dihydronaphthalene;phosphoryl trichloride
SMILESC1=Cc2ccccc2CC1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C10H10.Cl3OP/c1-2-6-10-8-4-3-7-9(10)5-1;1-5(2,3)4/h1-3,5-7H,4,8H2;
InChIKeyDWIZASMGJNSXEK-UHFFFAOYSA-N
XLogP5.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.52
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2-dihydronaphthalene;phosphoryl trichloride 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

1,2-dihydronaphthalene
CID 161389674
1,2-dihydronaphthalene
CID 9938
bis(1,2-dihydronaphthalene);bis(2,2-dimethylpropane);ethane
CID 159374922
7,8,9,10-tetrahydrobenzo[8]annulene
CID 54518791
(5E)-7,8,9,10,11,12-hexahydrobenzo[10]annulene
CID 134982097
1,2-dihydronaphthalene;bis(2,2-dimethylpropane);1H-naphthalen-2-ylidenetungsten
CID 158118772
1,2-dihydronaphthalene;1,3-thiazole
CID 68836302
benzene;1,1'-biphenyl;2,9-dihydro-1H-fluorene;1,2-dihydronaphthalene
CID 157412815
(2Z)-tricyclo[11.4.0.04,9]heptadeca-1(17),2,4,6,8,13,15-heptaene
CID 145199366
CID 67393892
CID 67393892
copper;1H-indene
CID 175216856
1H-indene;methane
CID 157370172

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydronaphthalene;phosphoryl trichloride?
The IUPAC name of 1,2-dihydronaphthalene;phosphoryl trichloride (CID 91096847) is 1,2-dihydronaphthalene;phosphoryl trichloride.
What is the SMILES notation for 1,2-dihydronaphthalene;phosphoryl trichloride?
The canonical SMILES for 1,2-dihydronaphthalene;phosphoryl trichloride is C1=Cc2ccccc2CC1.O=P(Cl)(Cl)Cl.
What is the InChIKey of 1,2-dihydronaphthalene;phosphoryl trichloride?
The InChIKey is DWIZASMGJNSXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.Cl3OP/c1-2-6-10-8-4-3-7-9(10)5-1;1-5(2,3)4/h1-3,5-7H,4,8H2;.
What are the key properties of 1,2-dihydronaphthalene;phosphoryl trichloride?
1,2-dihydronaphthalene;phosphoryl trichloride has a molecular weight of 283.52 g/mol, XLogP of 5.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydronaphthalene;phosphoryl trichloride is sourced from PubChem (CID 91096847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).