[3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite

C23H29N2O7P — CID 70852472

IUPAC[3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite
SMILESCCCCC(O)c1ccc(N2C(=O)N(C)C(=O)C2COCc2cccc(OP(O)O)c2)cc1
InChIInChI=1S/C23H29N2O7P/c1-3-4-8-21(26)17-9-11-18(12-10-17)25-20(22(27)24(2)23(25)28)15-31-14-16-6-5-7-19(13-16)32-33(29)30/h5-7,9-13,20-21,26,29-30H,3-4,8,14-15H2,1-2H3
InChIKeyPVCBQXCSNMTPMB-UHFFFAOYSA-N
MW476.47 g/mol
LogP3.48
Rot. Bonds11

About [3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite

[3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite (PubChem CID 70852472) has the molecular formula C23H29N2O7P and a molecular weight of 476.47 g/mol. Its IUPAC name is [3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite.

Molecular Properties

Compound Name[3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite
PubChem CID70852472
Molecular FormulaC23H29N2O7P
Molecular Weight476.47 g/mol
Exact Mass476.17
IUPAC Name[3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite
SMILESCCCCC(O)c1ccc(N2C(=O)N(C)C(=O)C2COCc2cccc(OP(O)O)c2)cc1
InChIInChI=1S/C23H29N2O7P/c1-3-4-8-21(26)17-9-11-18(12-10-17)25-20(22(27)24(2)23(25)28)15-31-14-16-6-5-7-19(13-16)32-33(29)30/h5-7,9-13,20-21,26,29-30H,3-4,8,14-15H2,1-2H3
InChIKeyPVCBQXCSNMTPMB-UHFFFAOYSA-N
XLogP3.48
TPSA119.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.47
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[1-[4-(1-hydroxyhexyl)phenyl]-5-oxopyrrolidin-2-yl]methoxymethyl]benzoic acid
CID 70667399
6-[(3-ethoxyphenyl)methyl]-1-[4-(1-hydroxypentyl)phenyl]piperidin-2-one
CID 143851696
2-[3-[[1-[4-(1-hydroxypentyl)phenyl]-3-oxopyrrolidin-2-yl]methyl]phenoxy]acetic acid
CID 24811733
3-[(3-ethylphenyl)methoxymethyl]-2-[4-(1-hydroxypentyl)phenyl]cyclopentan-1-one
CID 91179370
(5S)-4-hydroxy-1-[4-(1-hydroxyhexyl)phenyl]-5-[(5-methylthiophen-2-yl)methoxymethyl]pyrrolidin-2-one
CID 71038756
[3-[[3-butyl-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-2-yl]methoxymethyl]phenyl]phosphonous acid
CID 118404504
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
1-(4-methoxyphenyl)pentan-1-ol
CID 10176510
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
3-[[3-(1-hydroxyhexyl)phenoxy]methyl]benzaldehyde
CID 21288538
3-[[3-[[(2S)-2-hydroxyheptan-3-yl]oxymethyl]phenyl]methoxy]heptan-2-ol
CID 121321971
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757

Frequently Asked Questions

What is the IUPAC name of [3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite?
The IUPAC name of [3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite (CID 70852472) is [3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite.
What is the SMILES notation for [3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite?
The canonical SMILES for [3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite is CCCCC(O)c1ccc(N2C(=O)N(C)C(=O)C2COCc2cccc(OP(O)O)c2)cc1.
What is the InChIKey of [3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite?
The InChIKey is PVCBQXCSNMTPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N2O7P/c1-3-4-8-21(26)17-9-11-18(12-10-17)25-20(22(27)24(2)23(25)28)15-31-14-16-6-5-7-19(13-16)32-33(29)30/h5-7,9-13,20-21,26,29-30H,3-4,8,14-15H2,1-2H3.
What are the key properties of [3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite?
[3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite has a molecular weight of 476.47 g/mol, XLogP of 3.48, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-[4-(1-hydroxypentyl)phenyl]-1-methyl-2,5-dioxoimidazolidin-4-yl]methoxymethyl]phenyl] dihydrogen phosphite is sourced from PubChem (CID 70852472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).