[1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate

C31H27O6P — CID 20648494

IUPAC[1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate
SMILESCOc1ccc(C(=O)C2=C(OP(=O)(Oc3ccccc3)Oc3ccccc3)CCc3cc(C)ccc32)cc1
InChIInChI=1S/C31H27O6P/c1-22-13-19-28-24(21-22)16-20-29(30(28)31(32)23-14-17-25(34-2)18-15-23)37-38(33,35-26-9-5-3-6-10-26)36-27-11-7-4-8-12-27/h3-15,17-19,21H,16,20H2,1-2H3
InChIKeyUUUWUXZELOQXEF-UHFFFAOYSA-N
MW526.53 g/mol
LogP7.83
Rot. Bonds9

About [1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate

[1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate (PubChem CID 20648494) has the molecular formula C31H27O6P and a molecular weight of 526.53 g/mol. Its IUPAC name is [1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate.

Molecular Properties

Compound Name[1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate
PubChem CID20648494
Molecular FormulaC31H27O6P
Molecular Weight526.53 g/mol
Exact Mass526.15
IUPAC Name[1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate
SMILESCOc1ccc(C(=O)C2=C(OP(=O)(Oc3ccccc3)Oc3ccccc3)CCc3cc(C)ccc32)cc1
InChIInChI=1S/C31H27O6P/c1-22-13-19-28-24(21-22)16-20-29(30(28)31(32)23-14-17-25(34-2)18-15-23)37-38(33,35-26-9-5-3-6-10-26)36-27-11-7-4-8-12-27/h3-15,17-19,21H,16,20H2,1-2H3
InChIKeyUUUWUXZELOQXEF-UHFFFAOYSA-N
XLogP7.83
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.53
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate
CID 170068226
2-(4-methoxybenzoyl)-4-methylbenzoic acid
CID 69212990
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
[4-[4-[4-[4-methyl-2-(4-phenoxybenzoyl)phenyl]benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58846906
N-(2-benzoyl-5-methoxyphenyl)-4-methylbenzamide
CID 139696912
(2-hydroxy-5-methylphenyl) diphenyl phosphate
CID 13272252
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
[2-[4-(4-methoxyphenyl)phenoxy]-5-methylphenyl]-[4-(4-phenoxyphenoxy)phenyl]methanone
CID 58858848
propan-2-one;tris(4-methylphenyl) phosphate
CID 174813500

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate?
The IUPAC name of [1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate (CID 20648494) is [1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate.
What is the SMILES notation for [1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate?
The canonical SMILES for [1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate is COc1ccc(C(=O)C2=C(OP(=O)(Oc3ccccc3)Oc3ccccc3)CCc3cc(C)ccc32)cc1.
What is the InChIKey of [1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate?
The InChIKey is UUUWUXZELOQXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27O6P/c1-22-13-19-28-24(21-22)16-20-29(30(28)31(32)23-14-17-25(34-2)18-15-23)37-38(33,35-26-9-5-3-6-10-26)36-27-11-7-4-8-12-27/h3-15,17-19,21H,16,20H2,1-2H3.
What are the key properties of [1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate?
[1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate has a molecular weight of 526.53 g/mol, XLogP of 7.83, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate is sourced from PubChem (CID 20648494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).