[3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol

C31H49O2P — CID 135193691

IUPAC[3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol
SMILESCOc1ccc(CO)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C31H49O2P/c1-19(2)23-16-24(20(3)4)28(25(17-23)21(5)6)27-22(18-32)14-15-26(33-13)29(27)34(30(7,8)9)31(10,11)12/h14-17,19-21,32H,18H2,1-13H3
InChIKeyLUBXJZGVWJAYSO-UHFFFAOYSA-N
MW484.71 g/mol
LogP8.93
Rot. Bonds7

About [3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol

[3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol (PubChem CID 135193691) has the molecular formula C31H49O2P and a molecular weight of 484.71 g/mol. Its IUPAC name is [3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol
PubChem CID135193691
Molecular FormulaC31H49O2P
Molecular Weight484.71 g/mol
Exact Mass484.35
IUPAC Name[3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol
SMILESCOc1ccc(CO)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1P(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C31H49O2P/c1-19(2)23-16-24(20(3)4)28(25(17-23)21(5)6)27-22(18-32)14-15-26(33-13)29(27)34(30(7,8)9)31(10,11)12/h14-17,19-21,32H,18H2,1-13H3
InChIKeyLUBXJZGVWJAYSO-UHFFFAOYSA-N
XLogP8.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.71
LogP ≤ 58.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane
CID 127262770
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane
CID 127262764
[3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol;dicyclohexyl-[2-(2,6-dimethylphenyl)phenyl]phosphane;dicyclohexyl-[2-(2-methoxy-6-methylphenyl)phenyl]phosphane;[3-dicyclohexylphosphanyl-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol;[2-(2-dicyclohexylphosphanylphenyl)-3-methylphenyl]methanol;1-methoxy-2,4-dimethyl-3-[2,4,6-tri(propan-2-yl)phenyl]benzene;[4-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol;1,2,3,4,5-pentamethyl-6-[2,4,6-tri(propan-2-yl)phenyl]benzene;sulfur trioxide
CID 161428475
ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 121483098
tritert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium
CID 129084965
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane
CID 102481833
CID 176507743
CID 176507743
[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane
CID 58112654
2-[2-(hydroxymethyl)-5-[[3-(2-hydroxypropan-2-yl)-4-methoxyphenyl]methyl]phenyl]propan-2-ol
CID 129085416
butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 90042340
(2,3-dimethoxy-6-propan-2-ylphenyl)methanol
CID 84677822
2-amino-2-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 82077843

Frequently Asked Questions

What is the IUPAC name of [3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol?
The IUPAC name of [3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol (CID 135193691) is [3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol.
What is the SMILES notation for [3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol?
The canonical SMILES for [3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol is COc1ccc(CO)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1P(C(C)(C)C)C(C)(C)C.
What is the InChIKey of [3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol?
The InChIKey is LUBXJZGVWJAYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H49O2P/c1-19(2)23-16-24(20(3)4)28(25(17-23)21(5)6)27-22(18-32)14-15-26(33-13)29(27)34(30(7,8)9)31(10,11)12/h14-17,19-21,32H,18H2,1-13H3.
What are the key properties of [3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol?
[3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol has a molecular weight of 484.71 g/mol, XLogP of 8.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol is sourced from PubChem (CID 135193691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).