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

C21H29OP — CID 147313712

IUPAC[6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane
SMILESCOc1ccc(C)c(-c2c(C(C)C)cc(C)cc2C(C)C)c1P
InChIInChI=1S/C21H29OP/c1-12(2)16-10-14(5)11-17(13(3)4)20(16)19-15(6)8-9-18(22-7)21(19)23/h8-13H,23H2,1-7H3
InChIKeyCYLNHFPDLGMBNB-UHFFFAOYSA-N
MW328.44 g/mol
LogP5.73
Rot. Bonds4

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

[6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane (PubChem CID 147313712) has the molecular formula C21H29OP and a molecular weight of 328.44 g/mol. Its IUPAC name is [6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Name[6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane
PubChem CID147313712
Molecular FormulaC21H29OP
Molecular Weight328.44 g/mol
Exact Mass328.20
IUPAC Name[6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane
SMILESCOc1ccc(C)c(-c2c(C(C)C)cc(C)cc2C(C)C)c1P
InChIInChI=1S/C21H29OP/c1-12(2)16-10-14(5)11-17(13(3)4)20(16)19-15(6)8-9-18(22-7)21(19)23/h8-13H,23H2,1-7H3
InChIKeyCYLNHFPDLGMBNB-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2,6-di(propan-2-yl)phenyl]-1-methoxy-2,4-dimethylbenzene
CID 58112663
[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;1-[5-methoxy-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2,2,6,6-tetramethylphosphinan-4-one
CID 159644264
1-methoxy-2-(1-methoxyethyl)-4-methylbenzene
CID 71396401
[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane
CID 58112654
2-methoxy-1,5-dimethyl-3-propan-2-ylbenzene
CID 149196721
methane;1-methoxy-2,4-di(propan-2-yl)benzene;1-methyl-2,4-di(propan-2-yl)benzene
CID 158966469
ditert-butyl-[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-methylsulfonyloxyphosphanium
CID 175089498
[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]azanium
CID 7047666
2-(2-methoxy-5-methylphenyl)-3-(2,4,6-trimethylphenyl)propan-1-amine
CID 82141454
1,3-dimethyl-5-propan-2-ylbenzene;4-fluoro-1-methyl-2-propan-2-ylbenzene;1-methoxy-2-methyl-4-propan-2-ylbenzene
CID 158784558
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dimethylphosphane
CID 127262764
[4-methoxy-2,5-di(propan-2-yl)phenyl]phosphane
CID 167009841

Frequently Asked Questions

What is the IUPAC name of [6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane?
The IUPAC name of [6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane (CID 147313712) is [6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane.
What is the SMILES notation for [6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane?
The canonical SMILES for [6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane is COc1ccc(C)c(-c2c(C(C)C)cc(C)cc2C(C)C)c1P.
What is the InChIKey of [6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane?
The InChIKey is CYLNHFPDLGMBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29OP/c1-12(2)16-10-14(5)11-17(13(3)4)20(16)19-15(6)8-9-18(22-7)21(19)23/h8-13H,23H2,1-7H3.
What are the key properties of [6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane?
[6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane has a molecular weight of 328.44 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methoxy-3-methyl-2-[4-methyl-2,6-di(propan-2-yl)phenyl]phenyl]phosphane is sourced from PubChem (CID 147313712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).