7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene

C14H21ClO6P2 — CID 75274825

IUPAC7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene
SMILESCOP(=O)(OC)C1Cc2ccc(Cl)cc2C(P(=O)(OC)OC)C1
InChIInChI=1S/C14H21ClO6P2/c1-18-22(16,19-2)12-7-10-5-6-11(15)8-13(10)14(9-12)23(17,20-3)21-4/h5-6,8,12,14H,7,9H2,1-4H3
InChIKeySXPYDPIEXVKJDF-UHFFFAOYSA-N
MW382.72 g/mol
LogP4.67
Rot. Bonds6

About 7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene

7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 75274825) has the molecular formula C14H21ClO6P2 and a molecular weight of 382.72 g/mol. Its IUPAC name is 7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene
PubChem CID75274825
Molecular FormulaC14H21ClO6P2
Molecular Weight382.72 g/mol
Exact Mass382.05
IUPAC Name7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene
SMILESCOP(=O)(OC)C1Cc2ccc(Cl)cc2C(P(=O)(OC)OC)C1
InChIInChI=1S/C14H21ClO6P2/c1-18-22(16,19-2)12-7-10-5-6-11(15)8-13(10)14(9-12)23(17,20-3)21-4/h5-6,8,12,14H,7,9H2,1-4H3
InChIKeySXPYDPIEXVKJDF-UHFFFAOYSA-N
XLogP4.67
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.72
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene (CID 75274825) is 7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene is COP(=O)(OC)C1Cc2ccc(Cl)cc2C(P(=O)(OC)OC)C1.
What is the InChIKey of 7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is SXPYDPIEXVKJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO6P2/c1-18-22(16,19-2)12-7-10-5-6-11(15)8-13(10)14(9-12)23(17,20-3)21-4/h5-6,8,12,14H,7,9H2,1-4H3.
What are the key properties of 7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene?
7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 382.72 g/mol, XLogP of 4.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,3-bis(dimethoxyphosphoryl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 75274825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).