(4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane

C26H35O2P — CID 175306269

IUPAC(4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane
SMILESCOc1c(P)c(-c2ccccc2)c(C2CCCCC2)c(C2CCCCC2)c1OC
InChIInChI=1S/C26H35O2P/c1-27-24-22(19-14-8-4-9-15-19)21(18-12-6-3-7-13-18)23(26(29)25(24)28-2)20-16-10-5-11-17-20/h5,10-11,16-19H,3-4,6-9,12-15,29H2,1-2H3
InChIKeyQMZUYNPLKBGOMY-UHFFFAOYSA-N
MW410.54 g/mol
LogP6.97
Rot. Bonds5

About (4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane

(4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane (PubChem CID 175306269) has the molecular formula C26H35O2P and a molecular weight of 410.54 g/mol. Its IUPAC name is (4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane.

Molecular Properties

Compound Name(4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane
PubChem CID175306269
Molecular FormulaC26H35O2P
Molecular Weight410.54 g/mol
Exact Mass410.24
IUPAC Name(4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane
SMILESCOc1c(P)c(-c2ccccc2)c(C2CCCCC2)c(C2CCCCC2)c1OC
InChIInChI=1S/C26H35O2P/c1-27-24-22(19-14-8-4-9-15-19)21(18-12-6-3-7-13-18)23(26(29)25(24)28-2)20-16-10-5-11-17-20/h5,10-11,16-19H,3-4,6-9,12-15,29H2,1-2H3
InChIKeyQMZUYNPLKBGOMY-UHFFFAOYSA-N
XLogP6.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane?
The IUPAC name of (4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane (CID 175306269) is (4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane.
What is the SMILES notation for (4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane?
The canonical SMILES for (4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane is COc1c(P)c(-c2ccccc2)c(C2CCCCC2)c(C2CCCCC2)c1OC.
What is the InChIKey of (4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane?
The InChIKey is QMZUYNPLKBGOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35O2P/c1-27-24-22(19-14-8-4-9-15-19)21(18-12-6-3-7-13-18)23(26(29)25(24)28-2)20-16-10-5-11-17-20/h5,10-11,16-19H,3-4,6-9,12-15,29H2,1-2H3.
What are the key properties of (4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane?
(4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane has a molecular weight of 410.54 g/mol, XLogP of 6.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dicyclohexyl-2,3-dimethoxy-6-phenylphenyl)phosphane is sourced from PubChem (CID 175306269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).