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

C27H41O2P — CID 90042340

IUPACbutyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILESCCCCPc1c(OC)ccc(OC)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C27H41O2P/c1-10-11-14-30-27-24(29-9)13-12-23(28-8)26(27)25-21(18(4)5)15-20(17(2)3)16-22(25)19(6)7/h12-13,15-19,30H,10-11,14H2,1-9H3
InChIKeyAFEQOYSCOYYMQS-UHFFFAOYSA-N
MW428.60 g/mol
LogP7.84
Rot. Bonds10

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

butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (PubChem CID 90042340) has the molecular formula C27H41O2P and a molecular weight of 428.60 g/mol. Its IUPAC name is butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Namebutyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
PubChem CID90042340
Molecular FormulaC27H41O2P
Molecular Weight428.60 g/mol
Exact Mass428.28
IUPAC Namebutyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
SMILESCCCCPc1c(OC)ccc(OC)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C
InChIInChI=1S/C27H41O2P/c1-10-11-14-30-27-24(29-9)13-12-23(28-8)26(27)25-21(18(4)5)15-20(17(2)3)16-22(25)19(6)7/h12-13,15-19,30H,10-11,14H2,1-9H3
InChIKeyAFEQOYSCOYYMQS-UHFFFAOYSA-N
XLogP7.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.60
LogP ≤ 57.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
tritert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphanium
CID 129084965
(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexan-1-amine
CID 171216454
[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
(1S)-1-(2-methoxy-5-propan-2-ylphenyl)butan-1-amine;hydrochloride
CID 171236084
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
diethoxy-[2,3,4-trimethoxy-6-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 118584328
2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 116863189
[6-methoxy-3-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-di(pyrrol-1-yl)phosphane
CID 58112654
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)hexyl]piperazine;dihydrochloride
CID 171308476

Frequently Asked Questions

What is the IUPAC name of butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The IUPAC name of butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (CID 90042340) is butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.
What is the SMILES notation for butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The canonical SMILES for butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is CCCCPc1c(OC)ccc(OC)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.
What is the InChIKey of butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
The InChIKey is AFEQOYSCOYYMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41O2P/c1-10-11-14-30-27-24(29-9)13-12-23(28-8)26(27)25-21(18(4)5)15-20(17(2)3)16-22(25)19(6)7/h12-13,15-19,30H,10-11,14H2,1-9H3.
What are the key properties of butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?
butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane has a molecular weight of 428.60 g/mol, XLogP of 7.84, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is sourced from PubChem (CID 90042340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).