[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium

C31H32O8P+ — CID 10721654

IUPAC[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium
SMILESCOc1ccc(OCC(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[P+](=O)O)cc1
InChIInChI=1S/C31H31O8P/c1-34-26-13-9-24(10-14-26)31(23-7-5-4-6-8-23,25-11-15-27(35-2)16-12-25)38-22-30(39-40(32)33)21-37-29-19-17-28(36-3)18-20-29/h4-20,30H,21-22H2,1-3H3/p+1
InChIKeyJMFVBDRRRDUKPT-UHFFFAOYSA-O
MW563.56 g/mol
LogP6.13
Rot. Bonds14

About [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium

[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium (PubChem CID 10721654) has the molecular formula C31H32O8P+ and a molecular weight of 563.56 g/mol. Its IUPAC name is [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium
PubChem CID10721654
Molecular FormulaC31H32O8P+
Molecular Weight563.56 g/mol
Exact Mass563.18
IUPAC Name[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium
SMILESCOc1ccc(OCC(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[P+](=O)O)cc1
InChIInChI=1S/C31H31O8P/c1-34-26-13-9-24(10-14-26)31(23-7-5-4-6-8-23,25-11-15-27(35-2)16-12-25)38-22-30(39-40(32)33)21-37-29-19-17-28(36-3)18-20-29/h4-20,30H,21-22H2,1-3H3/p+1
InChIKeyJMFVBDRRRDUKPT-UHFFFAOYSA-O
XLogP6.13
TPSA92.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.56
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium 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

(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
2-[bis(4-methoxyphenyl)-phenylmethoxy]-1-phenylethanol
CID 11112996
3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-hydroxypropanamide
CID 91429970
1-methoxy-4-[(4-methoxyphenyl)-[(2S)-2-methylbutoxy]-phenylmethyl]benzene
CID 166649952
3-amino-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 135215394
1-[[3-[bis(4-methoxyphenyl)-phenylmethoxy]-2-(5-bromopentoxy)propoxy]-(4-methoxyphenyl)-phenylmethyl]-4-methoxybenzene
CID 139633696
2-[4-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]piperazin-1-yl]ethoxy-hydroxy-oxophosphanium
CID 11800590
1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(ethylamino)propan-2-ol
CID 135215406
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149
(2S)-1-[(4-methoxyphenyl)-diphenylmethoxy]-3-[(4-phenoxyphenyl)methoxy]propan-2-ol
CID 10325161
[2-methoxy-3-[(4-methoxyphenyl)-diphenylmethoxy]propyl] N-octadecylcarbamate
CID 19780189

Frequently Asked Questions

What is the IUPAC name of [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium?
The IUPAC name of [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium (CID 10721654) is [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium.
What is the SMILES notation for [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium?
The canonical SMILES for [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium is COc1ccc(OCC(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[P+](=O)O)cc1.
What is the InChIKey of [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium?
The InChIKey is JMFVBDRRRDUKPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C31H31O8P/c1-34-26-13-9-24(10-14-26)31(23-7-5-4-6-8-23,25-11-15-27(35-2)16-12-25)38-22-30(39-40(32)33)21-37-29-19-17-28(36-3)18-20-29/h4-20,30H,21-22H2,1-3H3/p+1.
What are the key properties of [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium?
[1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium has a molecular weight of 563.56 g/mol, XLogP of 6.13, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[bis(4-methoxyphenyl)-phenylmethoxy]-3-(4-methoxyphenoxy)propan-2-yl]oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 10721654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).