[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane

C35H41O2P — CID 102481833

IUPAC[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane
SMILESCOc1ccc(OC)c(P(c2ccccc2)c2ccccc2)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C35H41O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-25H,1-8H3
InChIKeyPDUUCWXWEKGJCF-UHFFFAOYSA-N
MW524.69 g/mol
LogP8.50
Rot. Bonds9

About [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane

[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane (PubChem CID 102481833) has the molecular formula C35H41O2P and a molecular weight of 524.69 g/mol. Its IUPAC name is [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane
PubChem CID102481833
Molecular FormulaC35H41O2P
Molecular Weight524.69 g/mol
Exact Mass524.28
IUPAC Name[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane
SMILESCOc1ccc(OC)c(P(c2ccccc2)c2ccccc2)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C35H41O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-25H,1-8H3
InChIKeyPDUUCWXWEKGJCF-UHFFFAOYSA-N
XLogP8.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.69
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane
CID 127262764
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane
CID 127262770
tritert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium
CID 129084965
[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane
CID 58112654
[3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol
CID 135193691
ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 121483098
CID 176507743
CID 176507743
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane
CID 139466257
acetonitrile;bis(1-adamantyl)-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;gold;hexafluoroantimony(1-)
CID 117065352
butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 90042340
2-(4-phenylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 151062491
phenyl-bis(2,4,6-trimethoxyphenyl)phosphane
CID 54206257

Frequently Asked Questions

What is the IUPAC name of [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane?
The IUPAC name of [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane (CID 102481833) is [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane.
What is the SMILES notation for [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane?
The canonical SMILES for [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane is COc1ccc(OC)c(P(c2ccccc2)c2ccccc2)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane?
The InChIKey is PDUUCWXWEKGJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41O2P/c1-23(2)26-21-29(24(3)4)33(30(22-26)25(5)6)34-31(36-7)19-20-32(37-8)35(34)38(27-15-11-9-12-16-27)28-17-13-10-14-18-28/h9-25H,1-8H3.
What are the key properties of [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane?
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane has a molecular weight of 524.69 g/mol, XLogP of 8.50, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane is sourced from PubChem (CID 102481833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).