1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene

C22H21OP — CID 102203272

IUPAC1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene
SMILESO=P(c1ccccc1)(c1ccccc1)C1CCCc2ccccc21
InChIInChI=1S/C22H21OP/c23-24(19-12-3-1-4-13-19,20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-8,10,12-16,22H,9,11,17H2
InChIKeyCDIDBAVIOZVYIR-UHFFFAOYSA-N
MW332.38 g/mol
LogP5.08
Rot. Bonds3

About 1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene

1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene (PubChem CID 102203272) has the molecular formula C22H21OP and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene
PubChem CID102203272
Molecular FormulaC22H21OP
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene
SMILESO=P(c1ccccc1)(c1ccccc1)C1CCCc2ccccc21
InChIInChI=1S/C22H21OP/c23-24(19-12-3-1-4-13-19,20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-8,10,12-16,22H,9,11,17H2
InChIKeyCDIDBAVIOZVYIR-UHFFFAOYSA-N
XLogP5.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.08
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

(6-diphenylphosphorylcyclohexen-1-yl)benzene
CID 177415752
1,2,3,4-tetrahydronaphthalen-1-ol
CID 10723
CID 59863888
CID 59863888
(3R)-3-diphenylphosphorylcyclohexan-1-one
CID 102126309
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
5-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-6-carboxylic acid
CID 59125395
[1-[(1S,2S)-2-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane
CID 134863950
(2S,4R)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-triene-3-carboxylic acid
CID 21356022
4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)but-2-enoic acid
CID 76940962
1-phenylselanyl-1,2,3,4-tetrahydronaphthalene
CID 10613263
1,2,3,4-tetrahydronaphthalene-1-sulfinate
CID 68909659
1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide
CID 102537231

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene (CID 102203272) is 1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene is O=P(c1ccccc1)(c1ccccc1)C1CCCc2ccccc21.
What is the InChIKey of 1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is CDIDBAVIOZVYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21OP/c23-24(19-12-3-1-4-13-19,20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-8,10,12-16,22H,9,11,17H2.
What are the key properties of 1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene?
1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 332.38 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 102203272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).