[3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol

C28H35O8P — CID 171398166

IUPAC[3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol
SMILESCOCCOCOc1c(CO)cc(C)cc1P(c1c(OC)cccc1OC)c1c(OC)cccc1OC
InChIInChI=1S/C28H35O8P/c1-19-15-20(17-29)26(36-18-35-14-13-30-2)25(16-19)37(27-21(31-3)9-7-10-22(27)32-4)28-23(33-5)11-8-12-24(28)34-6/h7-12,15-16,29H,13-14,17-18H2,1-6H3
InChIKeyVEFFTSQKIHOWIF-UHFFFAOYSA-N
MW530.55 g/mol
LogP3.28
Rot. Bonds14

About [3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol

[3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol (PubChem CID 171398166) has the molecular formula C28H35O8P and a molecular weight of 530.55 g/mol. Its IUPAC name is [3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol.

Molecular Properties

Compound Name[3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol
PubChem CID171398166
Molecular FormulaC28H35O8P
Molecular Weight530.55 g/mol
Exact Mass530.21
IUPAC Name[3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol
SMILESCOCCOCOc1c(CO)cc(C)cc1P(c1c(OC)cccc1OC)c1c(OC)cccc1OC
InChIInChI=1S/C28H35O8P/c1-19-15-20(17-29)26(36-18-35-14-13-30-2)25(16-19)37(27-21(31-3)9-7-10-22(27)32-4)28-23(33-5)11-8-12-24(28)34-6/h7-12,15-16,29H,13-14,17-18H2,1-6H3
InChIKeyVEFFTSQKIHOWIF-UHFFFAOYSA-N
XLogP3.28
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.55
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol?
The IUPAC name of [3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol (CID 171398166) is [3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol.
What is the SMILES notation for [3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol?
The canonical SMILES for [3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol is COCCOCOc1c(CO)cc(C)cc1P(c1c(OC)cccc1OC)c1c(OC)cccc1OC.
What is the InChIKey of [3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol?
The InChIKey is VEFFTSQKIHOWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35O8P/c1-19-15-20(17-29)26(36-18-35-14-13-30-2)25(16-19)37(27-21(31-3)9-7-10-22(27)32-4)28-23(33-5)11-8-12-24(28)34-6/h7-12,15-16,29H,13-14,17-18H2,1-6H3.
What are the key properties of [3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol?
[3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol has a molecular weight of 530.55 g/mol, XLogP of 3.28, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bis(2,6-dimethoxyphenyl)phosphanyl-2-(2-methoxyethoxymethoxy)-5-methylphenyl]methanol is sourced from PubChem (CID 171398166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).