[1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate

C23H20NO7P — CID 66606986

IUPAC[1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate
SMILESCOc1ccc(C(=O)c2ccccc2-n2cc(OP(=O)(O)O)c3ccccc32)c(OC)c1
InChIInChI=1S/C23H20NO7P/c1-29-15-11-12-18(21(13-15)30-2)23(25)17-8-4-6-10-20(17)24-14-22(31-32(26,27)28)16-7-3-5-9-19(16)24/h3-14H,1-2H3,(H2,26,27,28)
InChIKeyHNPMXJUPZOQKIM-UHFFFAOYSA-N
MW453.39 g/mol
LogP4.35
Rot. Bonds7

About [1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate

[1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate (PubChem CID 66606986) has the molecular formula C23H20NO7P and a molecular weight of 453.39 g/mol. Its IUPAC name is [1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate
PubChem CID66606986
Molecular FormulaC23H20NO7P
Molecular Weight453.39 g/mol
Exact Mass453.10
IUPAC Name[1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate
SMILESCOc1ccc(C(=O)c2ccccc2-n2cc(OP(=O)(O)O)c3ccccc32)c(OC)c1
InChIInChI=1S/C23H20NO7P/c1-29-15-11-12-18(21(13-15)30-2)23(25)17-8-4-6-10-20(17)24-14-22(31-32(26,27)28)16-7-3-5-9-19(16)24/h3-14H,1-2H3,(H2,26,27,28)
InChIKeyHNPMXJUPZOQKIM-UHFFFAOYSA-N
XLogP4.35
TPSA107.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.39
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl]acetic acid
CID 118158326
[1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] butanoate
CID 172641185
N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
CID 40717267
[2-[4-chloro-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(2,4-dimethoxyphenyl)methanone
CID 66608784
[2-[2-bis(2-methoxyphenoxy)phosphanyloxybenzoyl]-5-methoxyphenyl] bis(2-methoxyphenyl) phosphite
CID 58931610
1-(2,4-dimethoxyphenyl)-3-methylindole
CID 151820555
(9-methylcarbazol-1-yl)-(2,3,4,5-tetramethoxyphenyl)methanone
CID 170563793
[2-[5-bromo-4-chloro-3-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyindol-1-yl]phenyl]-(2,4-dimethoxyphenyl)methanone
CID 174647294
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172
1-benzyl-N-[(2,4-dimethoxyphenyl)methyl]indole-3-carboxamide
CID 11718287
1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide
CID 174545779
[1-[2-[4-(dimethylamino)benzoyl]phenyl]indol-3-yl] acetate
CID 172641182

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate?
The IUPAC name of [1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate (CID 66606986) is [1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate.
What is the SMILES notation for [1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate?
The canonical SMILES for [1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate is COc1ccc(C(=O)c2ccccc2-n2cc(OP(=O)(O)O)c3ccccc32)c(OC)c1.
What is the InChIKey of [1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate?
The InChIKey is HNPMXJUPZOQKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20NO7P/c1-29-15-11-12-18(21(13-15)30-2)23(25)17-8-4-6-10-20(17)24-14-22(31-32(26,27)28)16-7-3-5-9-19(16)24/h3-14H,1-2H3,(H2,26,27,28).
What are the key properties of [1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate?
[1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate has a molecular weight of 453.39 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2,4-dimethoxybenzoyl)phenyl]indol-3-yl] dihydrogen phosphate is sourced from PubChem (CID 66606986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).