phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene

C20H25O4P — CID 23110735

IUPACphosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene
SMILESO=P(O)(O)O.c1cc2c(c(-c3cccc4c3CCCC4)c1)CCCC2
InChIInChI=1S/C20H22.H3O4P/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-5(2,3)4/h5-6,9-10,13-14H,1-4,7-8,11-12H2;(H3,1,2,3,4)
InChIKeyYAGJLKNYVXLAOC-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.18
Rot. Bonds1

About phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene

phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 23110735) has the molecular formula C20H25O4P and a molecular weight of 360.39 g/mol. Its IUPAC name is phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Namephosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene
PubChem CID23110735
Molecular FormulaC20H25O4P
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Namephosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene
SMILESO=P(O)(O)O.c1cc2c(c(-c3cccc4c3CCCC4)c1)CCCC2
InChIInChI=1S/C20H22.H3O4P/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-5(2,3)4/h5-6,9-10,13-14H,1-4,7-8,11-12H2;(H3,1,2,3,4)
InChIKeyYAGJLKNYVXLAOC-UHFFFAOYSA-N
XLogP4.18
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,6-bis(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,4,5-tetrazine
CID 146453462
tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
CID 13281341
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol
CID 21151081
2-amino-3-(2,3-dihydro-1H-inden-4-yl)benzamide
CID 67610291
9-(5,6,7,8-tetrahydronaphthalen-1-yl)-10-[4-[10-(5,6,7,8-tetrahydronaphthalen-1-yl)anthracen-9-yl]naphthalen-1-yl]anthracene
CID 59858821
5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid
CID 43153962
4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)benzene-1,3-diamine
CID 19849900
ethanol;4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenol
CID 174803468
2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid
CID 70407654
2-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)triazol-1-yl]acetamide
CID 138056287
2-fluoro-6-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine
CID 140732685
N-hydroxy-2,3-dihydro-1H-indene-4-carboxamide
CID 126997874

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene (CID 23110735) is phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene is O=P(O)(O)O.c1cc2c(c(-c3cccc4c3CCCC4)c1)CCCC2.
What is the InChIKey of phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is YAGJLKNYVXLAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22.H3O4P/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-5(2,3)4/h5-6,9-10,13-14H,1-4,7-8,11-12H2;(H3,1,2,3,4).
What are the key properties of phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene?
phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 360.39 g/mol, XLogP of 4.18, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;5-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 23110735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).