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

C29H45O2P — CID 127262770

IUPAC[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane
SMILESCOc1ccc(OC)c(P(C(C)C)C(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C29H45O2P/c1-17(2)22-15-23(18(3)4)27(24(16-22)19(5)6)28-25(30-11)13-14-26(31-12)29(28)32(20(7)8)21(9)10/h13-21H,1-12H3
InChIKeyTYKBZBVSDHTCRS-UHFFFAOYSA-N
MW456.65 g/mol
LogP8.66
Rot. Bonds9

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

[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane (PubChem CID 127262770) has the molecular formula C29H45O2P and a molecular weight of 456.65 g/mol. Its IUPAC name is [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane
PubChem CID127262770
Molecular FormulaC29H45O2P
Molecular Weight456.65 g/mol
Exact Mass456.32
IUPAC Name[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane
SMILESCOc1ccc(OC)c(P(C(C)C)C(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C29H45O2P/c1-17(2)22-15-23(18(3)4)27(24(16-22)19(5)6)28-25(30-11)13-14-26(31-12)29(28)32(20(7)8)21(9)10/h13-21H,1-12H3
InChIKeyTYKBZBVSDHTCRS-UHFFFAOYSA-N
XLogP8.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.65
LogP ≤ 58.66
H-Bond Donors ≤ 50
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]-dimethylphosphane
CID 127262764
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphane
CID 102481833
[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
[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane
CID 58112654
butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 90042340
acetonitrile;bis(1-adamantyl)-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;gold;hexafluoroantimony(1-)
CID 117065352
diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 118584328
[3-chloro-2,5-dimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-dicyclohexylphosphane
CID 75412135
bis(1-adamantyl)-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;bromopalladium(1+);1-(2H-thiophen-2-id-5-yl)ethanone
CID 146014654
CID 176507743
CID 176507743
ditert-butyl-[3,6-dimethoxy-2-[3-phenyl-2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 121483098

Frequently Asked Questions

What is the IUPAC name of [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane?
The IUPAC name of [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane (CID 127262770) is [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane.
What is the SMILES notation for [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane?
The canonical SMILES for [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane is COc1ccc(OC)c(P(C(C)C)C(C)C)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]-di(propan-2-yl)phosphane?
The InChIKey is TYKBZBVSDHTCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45O2P/c1-17(2)22-15-23(18(3)4)27(24(16-22)19(5)6)28-25(30-11)13-14-26(31-12)29(28)32(20(7)8)21(9)10/h13-21H,1-12H3.
What are the key properties of [3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane?
[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(propan-2-yl)phosphane has a molecular weight of 456.65 g/mol, XLogP of 8.66, 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]-di(propan-2-yl)phosphane is sourced from PubChem (CID 127262770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).