4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene

C22H22ClO5P — CID 10048464

IUPAC4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene
SMILESCOc1ccc(OP(=O)(Cc2ccc(Cl)cc2-c2ccc(OC)cc2)OC)cc1
InChIInChI=1S/C22H22ClO5P/c1-25-19-8-5-16(6-9-19)22-14-18(23)7-4-17(22)15-29(24,27-3)28-21-12-10-20(26-2)11-13-21/h4-14H,15H2,1-3H3
InChIKeyTTXUEYSSJJXALH-UHFFFAOYSA-N
MW432.84 g/mol
LogP6.44
Rot. Bonds8

About 4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene

4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene (PubChem CID 10048464) has the molecular formula C22H22ClO5P and a molecular weight of 432.84 g/mol. Its IUPAC name is 4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene
PubChem CID10048464
Molecular FormulaC22H22ClO5P
Molecular Weight432.84 g/mol
Exact Mass432.09
IUPAC Name4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene
SMILESCOc1ccc(OP(=O)(Cc2ccc(Cl)cc2-c2ccc(OC)cc2)OC)cc1
InChIInChI=1S/C22H22ClO5P/c1-25-19-8-5-16(6-9-19)22-14-18(23)7-4-17(22)15-29(24,27-3)28-21-12-10-20(26-2)11-13-21/h4-14H,15H2,1-3H3
InChIKeyTTXUEYSSJJXALH-UHFFFAOYSA-N
XLogP6.44
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.84
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)-2-(dimethoxyphosphorylmethyl)-4-methylbenzene
CID 72735309
4-chloro-1-[4-chloro-2-(4-methoxyphenyl)phenyl]selanyl-2-(4-methoxyphenyl)benzene
CID 162716901
4-chloro-2-(dimethoxyphosphorylmethyl)aniline
CID 87612320
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
4-chloro-1-ethyl-2-phenylbenzene
CID 90346891
7-chloro-1-(4-methoxyphenyl)-2-propylnaphthalene
CID 139260247
[2-fluoro-4-(4-methoxyphenyl)phenyl]methanol
CID 11207006
3-(4-chloro-2-fluorophenyl)-2-(4-methoxyphenyl)propanoic acid
CID 84752972
3-chloro-1,2-bis(4-chlorophenyl)-4-(4-methoxyphenyl)benzene
CID 57130266
4-chloro-1-methoxy-2-[4-(trifluoromethoxy)phenyl]benzene
CID 134629678
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene?
The IUPAC name of 4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene (CID 10048464) is 4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene.
What is the SMILES notation for 4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene?
The canonical SMILES for 4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene is COc1ccc(OP(=O)(Cc2ccc(Cl)cc2-c2ccc(OC)cc2)OC)cc1.
What is the InChIKey of 4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene?
The InChIKey is TTXUEYSSJJXALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClO5P/c1-25-19-8-5-16(6-9-19)22-14-18(23)7-4-17(22)15-29(24,27-3)28-21-12-10-20(26-2)11-13-21/h4-14H,15H2,1-3H3.
What are the key properties of 4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene?
4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene has a molecular weight of 432.84 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[[methoxy-(4-methoxyphenoxy)phosphoryl]methyl]-2-(4-methoxyphenyl)benzene is sourced from PubChem (CID 10048464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).