dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane

C26H35OP — CID 70847876

IUPACdicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane
SMILESCOc1cccc(C)c1-c1cccc(P(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C26H35OP/c1-20-11-9-18-25(27-2)26(20)21-12-10-17-24(19-21)28(22-13-5-3-6-14-22)23-15-7-4-8-16-23/h9-12,17-19,22-23H,3-8,13-16H2,1-2H3
InChIKeyYZSYWLBJJWWNNX-UHFFFAOYSA-N
MW394.54 g/mol
LogP7.44
Rot. Bonds5

About dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane

dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane (PubChem CID 70847876) has the molecular formula C26H35OP and a molecular weight of 394.54 g/mol. Its IUPAC name is dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane
PubChem CID70847876
Molecular FormulaC26H35OP
Molecular Weight394.54 g/mol
Exact Mass394.24
IUPAC Namedicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane
SMILESCOc1cccc(C)c1-c1cccc(P(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C26H35OP/c1-20-11-9-18-25(27-2)26(20)21-12-10-17-24(19-21)28(22-13-5-3-6-14-22)23-15-7-4-8-16-23/h9-12,17-19,22-23H,3-8,13-16H2,1-2H3
InChIKeyYZSYWLBJJWWNNX-UHFFFAOYSA-N
XLogP7.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane?
The IUPAC name of dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane (CID 70847876) is dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane is COc1cccc(C)c1-c1cccc(P(C2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane?
The InChIKey is YZSYWLBJJWWNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35OP/c1-20-11-9-18-25(27-2)26(20)21-12-10-17-24(19-21)28(22-13-5-3-6-14-22)23-15-7-4-8-16-23/h9-12,17-19,22-23H,3-8,13-16H2,1-2H3.
What are the key properties of dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane?
dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane has a molecular weight of 394.54 g/mol, XLogP of 7.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[3-(2-methoxy-6-methylphenyl)phenyl]phosphane is sourced from PubChem (CID 70847876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).