(3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate

C24H21O4P — CID 139980288

IUPAC(3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate
SMILESCc1ccc(OP(=O)(Oc2cccc(C)c2)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C24H21O4P/c1-18-13-15-21(16-14-18)26-29(25,27-22-10-5-7-19(2)17-22)28-24-12-6-9-20-8-3-4-11-23(20)24/h3-17H,1-2H3
InChIKeyXNMTZEGFZTXSDE-UHFFFAOYSA-N
MW404.40 g/mol
LogP7.10
Rot. Bonds6

About (3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate

(3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate (PubChem CID 139980288) has the molecular formula C24H21O4P and a molecular weight of 404.40 g/mol. Its IUPAC name is (3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate.

Molecular Properties

Compound Name(3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate
PubChem CID139980288
Molecular FormulaC24H21O4P
Molecular Weight404.40 g/mol
Exact Mass404.12
IUPAC Name(3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate
SMILESCc1ccc(OP(=O)(Oc2cccc(C)c2)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C24H21O4P/c1-18-13-15-21(16-14-18)26-29(25,27-22-10-5-7-19(2)17-22)28-24-12-6-9-20-8-3-4-11-23(20)24/h3-17H,1-2H3
InChIKeyXNMTZEGFZTXSDE-UHFFFAOYSA-N
XLogP7.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.40
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(3-methylphenyl) (4-methylphenyl) phosphate;(3-methylphenyl) bis(4-methylphenyl) phosphate;tris(3-methylphenyl) phosphate;tris(4-methylphenyl) phosphate
CID 44630431
(2-methylphenyl) diphenyl phosphate;(3-methylphenyl) diphenyl phosphate;(4-methylphenyl) diphenyl phosphate
CID 24832071
(4-methylphenyl) naphthalen-1-yl (4-propylphenyl) phosphate
CID 139980272
triphenyl phosphate;tris(2-methylphenyl) phosphate;tris(3-methylphenyl) phosphate
CID 174811049
(4-ethylphenyl) naphthalen-1-yl naphthalen-2-yl phosphate
CID 139980305
dinaphthalen-1-yl (4-propylphenyl) phosphate
CID 139980306
(2,4-dimethylphenyl) (4-methylphenyl) naphthalen-2-yl phosphate
CID 139980273
(4-bromophenyl) bis(3-methylphenyl) phosphate
CID 6426555
bis(4-chlorophenyl) (3-methylphenyl) phosphate
CID 6426541
[2-[2-bis(4-methylphenoxy)phosphoryloxyphenyl]phenyl] bis(4-methylphenyl) phosphate
CID 91534838
phosphane;toluene;tris(4-methylphenyl) phosphate
CID 174780214
methyl (3-methylphenyl) phenyl phosphate
CID 21410402

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate?
The IUPAC name of (3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate (CID 139980288) is (3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate.
What is the SMILES notation for (3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate?
The canonical SMILES for (3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate is Cc1ccc(OP(=O)(Oc2cccc(C)c2)Oc2cccc3ccccc23)cc1.
What is the InChIKey of (3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate?
The InChIKey is XNMTZEGFZTXSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21O4P/c1-18-13-15-21(16-14-18)26-29(25,27-22-10-5-7-19(2)17-22)28-24-12-6-9-20-8-3-4-11-23(20)24/h3-17H,1-2H3.
What are the key properties of (3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate?
(3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate has a molecular weight of 404.40 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl) (4-methylphenyl) naphthalen-1-yl phosphate is sourced from PubChem (CID 139980288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).