[6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane

C27H33OP — CID 175124243

IUPAC[6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane
SMILESCOc1c(-c2ccccc2)ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1P
InChIInChI=1S/C27H33OP/c1-26(2,3)20-15-19(16-21(17-20)27(4,5)6)23-14-13-22(24(28-7)25(23)29)18-11-9-8-10-12-18/h8-17H,29H2,1-7H3
InChIKeyWNEOMUXNSACUKQ-UHFFFAOYSA-N
MW404.53 g/mol
LogP7.12
Rot. Bonds3

About [6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane

[6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane (PubChem CID 175124243) has the molecular formula C27H33OP and a molecular weight of 404.53 g/mol. Its IUPAC name is [6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane.

Molecular Properties

Compound Name[6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane
PubChem CID175124243
Molecular FormulaC27H33OP
Molecular Weight404.53 g/mol
Exact Mass404.23
IUPAC Name[6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane
SMILESCOc1c(-c2ccccc2)ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1P
InChIInChI=1S/C27H33OP/c1-26(2,3)20-15-19(16-21(17-20)27(4,5)6)23-14-13-22(24(28-7)25(23)29)18-11-9-8-10-12-18/h8-17H,29H2,1-7H3
InChIKeyWNEOMUXNSACUKQ-UHFFFAOYSA-N
XLogP7.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 57.12
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

1,4-bis[3-(3,5-ditert-butylphenyl)naphthalen-2-yl]-2,3-dimethoxynaphthalene
CID 177454331
2-methoxy-1,3-diphenylbenzene
CID 23524590
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene
CID 146622594
1-iodo-2-methoxy-3-phenylbenzene
CID 164896113
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
21,24-bis(3,5-ditert-butylphenyl)-5,12-diphenyloctacyclo[17.9.2.02,15.04,13.06,11.016,29.020,25.026,30]triaconta-1(29),2,4,6,8,10,12,14,16,18,20,22,24,26(30),27-pentadecaene
CID 123373194
4-tert-butyl-1,2-diphenylbenzene;sulfane
CID 174786417
1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
CID 175093014
4-tert-butyl-2-[3-(3,5-ditert-butylphenyl)phenyl]-6-phenylaniline
CID 171730460
3-methoxy-2-methyl-4-phenylphenol
CID 45097393

Frequently Asked Questions

What is the IUPAC name of [6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane?
The IUPAC name of [6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane (CID 175124243) is [6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane.
What is the SMILES notation for [6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane?
The canonical SMILES for [6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane is COc1c(-c2ccccc2)ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1P.
What is the InChIKey of [6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane?
The InChIKey is WNEOMUXNSACUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33OP/c1-26(2,3)20-15-19(16-21(17-20)27(4,5)6)23-14-13-22(24(28-7)25(23)29)18-11-9-8-10-12-18/h8-17H,29H2,1-7H3.
What are the key properties of [6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane?
[6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane has a molecular weight of 404.53 g/mol, XLogP of 7.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-ditert-butylphenyl)-2-methoxy-3-phenylphenyl]phosphane is sourced from PubChem (CID 175124243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).