[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane

C31H39N2OP — CID 58112654

IUPAC[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane
SMILESCOc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1P(n1cccc1)n1cccc1
InChIInChI=1S/C31H39N2OP/c1-21(2)25-19-26(22(3)4)30(27(20-25)23(5)6)29-24(7)13-14-28(34-8)31(29)35(32-15-9-10-16-32)33-17-11-12-18-33/h9-23H,1-8H3
InChIKeyVXCTYJGWLHVCKT-UHFFFAOYSA-N
MW486.64 g/mol
LogP8.68
Rot. Bonds8

About [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane

[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane (PubChem CID 58112654) has the molecular formula C31H39N2OP and a molecular weight of 486.64 g/mol. Its IUPAC name is [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane.

Molecular Properties

Compound Name[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane
PubChem CID58112654
Molecular FormulaC31H39N2OP
Molecular Weight486.64 g/mol
Exact Mass486.28
IUPAC Name[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane
SMILESCOc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1P(n1cccc1)n1cccc1
InChIInChI=1S/C31H39N2OP/c1-21(2)25-19-26(22(3)4)30(27(20-25)23(5)6)29-24(7)13-14-28(34-8)31(29)35(32-15-9-10-16-32)33-17-11-12-18-33/h9-23H,1-8H3
InChIKeyVXCTYJGWLHVCKT-UHFFFAOYSA-N
XLogP8.68
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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]-dimethylphosphane
CID 127262764
[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]-diphenylphosphane
CID 102481833
ditert-butyl-[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-methylsulfonyloxyphosphanium
CID 175089498
3-[2,6-di(propan-2-yl)phenyl]-1-methoxy-2,4-dimethylbenzene
CID 58112663
methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
CID 158966469
[6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane
CID 147313712
dicyclohexyl-[6-cyclohexyloxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 162418915
[3-ditert-butylphosphanyl-4-methoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol
CID 135193691
tritert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium
CID 129084965
2-[4-(2-methoxy-3-propan-2-ylphenyl)pentyl]-1,3-dimethyl-5-propan-2-ylbenzene
CID 176917079
hydrazinyl-(2-methoxy-5-propan-2-ylphenyl)methanamine
CID 116947422

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane?
The IUPAC name of [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane (CID 58112654) is [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane.
What is the SMILES notation for [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane?
The canonical SMILES for [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane is COc1ccc(C)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1P(n1cccc1)n1cccc1.
What is the InChIKey of [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane?
The InChIKey is VXCTYJGWLHVCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N2OP/c1-21(2)25-19-26(22(3)4)30(27(20-25)23(5)6)29-24(7)13-14-28(34-8)31(29)35(32-15-9-10-16-32)33-17-11-12-18-33/h9-23H,1-8H3.
What are the key properties of [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane?
[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane has a molecular weight of 486.64 g/mol, XLogP of 8.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane is sourced from PubChem (CID 58112654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).