[2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite

C23H41O3P — CID 70577163

IUPAC[2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite
SMILESCCCCC(CC)Cc1c(C)ccc(OP(O)O)c1CC(CC)CCCC
InChIInChI=1S/C23H41O3P/c1-6-10-12-19(8-3)16-21-18(5)14-15-23(26-27(24)25)22(21)17-20(9-4)13-11-7-2/h14-15,19-20,24-25H,6-13,16-17H2,1-5H3
InChIKeySZJFZZSFGYPWEU-UHFFFAOYSA-N
MW396.55 g/mol
LogP7.10
Rot. Bonds14

About [2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite

[2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite (PubChem CID 70577163) has the molecular formula C23H41O3P and a molecular weight of 396.55 g/mol. Its IUPAC name is [2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite.

Molecular Properties

Compound Name[2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite
PubChem CID70577163
Molecular FormulaC23H41O3P
Molecular Weight396.55 g/mol
Exact Mass396.28
IUPAC Name[2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite
SMILESCCCCC(CC)Cc1c(C)ccc(OP(O)O)c1CC(CC)CCCC
InChIInChI=1S/C23H41O3P/c1-6-10-12-19(8-3)16-21-18(5)14-15-23(26-27(24)25)22(21)17-20(9-4)13-11-7-2/h14-15,19-20,24-25H,6-13,16-17H2,1-5H3
InChIKeySZJFZZSFGYPWEU-UHFFFAOYSA-N
XLogP7.10
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.55
LogP ≤ 57.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphate
CID 66887191
(2,3,4-tripentylphenyl) dihydrogen phosphite
CID 141324371
phosphane;tris([2,3,4-tri(nonyl)phenyl] dihydrogen phosphite)
CID 172726216
[2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite
CID 67658344
2-[4-chloro-3-(2-ethylhexyl)-2-methylphenoxy]acetic acid
CID 67633723
diphenyl hydrogen phosphite;2-ethylhexyl dihydrogen phosphite
CID 161432608
1-(2-ethylhexyl)-2-methylbenzene
CID 54294773
2-(2-ethylhexyl)-3-hexylterephthalic acid
CID 174230250
(2,4-dibutyl-5-methylphenyl) dihydrogen phosphite
CID 151672758
1-(2-ethylhexyl)-2-methoxybenzene
CID 160716483
(2-tert-butylphenyl) 2-ethylhexyl hydrogen phosphite
CID 54359277
[4-(2-ethylhexoxy)-3-methylphenyl]boronic acid
CID 63549557

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite?
The IUPAC name of [2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite (CID 70577163) is [2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite.
What is the SMILES notation for [2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite?
The canonical SMILES for [2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite is CCCCC(CC)Cc1c(C)ccc(OP(O)O)c1CC(CC)CCCC.
What is the InChIKey of [2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite?
The InChIKey is SZJFZZSFGYPWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41O3P/c1-6-10-12-19(8-3)16-21-18(5)14-15-23(26-27(24)25)22(21)17-20(9-4)13-11-7-2/h14-15,19-20,24-25H,6-13,16-17H2,1-5H3.
What are the key properties of [2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite?
[2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite has a molecular weight of 396.55 g/mol, XLogP of 7.10, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(2-ethylhexyl)-4-methylphenyl] dihydrogen phosphite is sourced from PubChem (CID 70577163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).