[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite

C39H42O6P2 — CID 142925487

IUPAC[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite
SMILESCC(C)c1ccccc1OP(O)Oc1ccccc1-c1ccccc1OP(Oc1ccccc1C(C)C)Oc1ccccc1C(C)C
InChIInChI=1S/C39H42O6P2/c1-27(2)30-17-7-12-22-35(30)41-46(40)42-38-25-15-10-20-33(38)34-21-11-16-26-39(34)45-47(43-36-23-13-8-18-31(36)28(3)4)44-37-24-14-9-19-32(37)29(5)6/h7-29,40H,1-6H3
InChIKeyCOEWTCWKWJYNJU-UHFFFAOYSA-N
MW668.71 g/mol
LogP12.16
Rot. Bonds14

About [2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite

[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite (PubChem CID 142925487) has the molecular formula C39H42O6P2 and a molecular weight of 668.71 g/mol. Its IUPAC name is [2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite.

Molecular Properties

Compound Name[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite
PubChem CID142925487
Molecular FormulaC39H42O6P2
Molecular Weight668.71 g/mol
Exact Mass668.25
IUPAC Name[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite
SMILESCC(C)c1ccccc1OP(O)Oc1ccccc1-c1ccccc1OP(Oc1ccccc1C(C)C)Oc1ccccc1C(C)C
InChIInChI=1S/C39H42O6P2/c1-27(2)30-17-7-12-22-35(30)41-46(40)42-38-25-15-10-20-33(38)34-21-11-16-26-39(34)45-47(43-36-23-13-8-18-31(36)28(3)4)44-37-24-14-9-19-32(37)29(5)6/h7-29,40H,1-6H3
InChIKeyCOEWTCWKWJYNJU-UHFFFAOYSA-N
XLogP12.16
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.71
LogP ≤ 512.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

buta-1,3-diene;(E)-3,4-dimethylpent-2-ene;[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite
CID 142925486
[8-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxy-9-oxo-10H-anthracen-1-yl] bis(2-propan-2-ylphenyl) phosphite
CID 142850207
[2,4-bis(2-propan-2-ylphenyl)phenyl] dihydrogen phosphite
CID 141189598
tris(2-butan-2-ylphenyl) phosphite
CID 18519322
1-propan-2-yl-2-prop-1-en-2-yloxybenzene
CID 22935766
chloro-phenyl-(2-propan-2-ylphenoxy)phosphane
CID 20820446
ethane;1-methoxy-2-propan-2-ylbenzene
CID 144548142
ethane;1-methoxy-2-propan-2-ylbenzene
CID 142030907
tert-butyl [2-(4-fluorophenyl)phenyl] hydrogen phosphite
CID 22399482
hydroxy-oxo-(2-propan-2-ylphenoxy)phosphanium
CID 172760226
[8-bis(5-methyl-2-propan-2-ylphenoxy)phosphanyloxy-9,10-dioxoanthracen-1-yl] bis(5-methyl-2-propan-2-ylphenyl) phosphite
CID 58931576
[2-[2-bis(2-tert-butylphenoxy)phosphanyloxy-4-methoxybenzoyl]-5-methoxyphenyl] (2-tert-butylphenyl) (2-propan-2-ylphenyl) phosphite
CID 58640381

Frequently Asked Questions

What is the IUPAC name of [2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite?
The IUPAC name of [2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite (CID 142925487) is [2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite.
What is the SMILES notation for [2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite?
The canonical SMILES for [2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite is CC(C)c1ccccc1OP(O)Oc1ccccc1-c1ccccc1OP(Oc1ccccc1C(C)C)Oc1ccccc1C(C)C.
What is the InChIKey of [2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite?
The InChIKey is COEWTCWKWJYNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H42O6P2/c1-27(2)30-17-7-12-22-35(30)41-46(40)42-38-25-15-10-20-33(38)34-21-11-16-26-39(34)45-47(43-36-23-13-8-18-31(36)28(3)4)44-37-24-14-9-19-32(37)29(5)6/h7-29,40H,1-6H3.
What are the key properties of [2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite?
[2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite has a molecular weight of 668.71 g/mol, XLogP of 12.16, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[hydroxy-(2-propan-2-ylphenoxy)phosphanyl]oxyphenyl]phenyl] bis(2-propan-2-ylphenyl) phosphite is sourced from PubChem (CID 142925487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).