dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane

C30H43O2P — CID 70881184

IUPACdicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane
SMILESCCCOc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H43O2P/c1-4-22-31-27-19-13-20-28(32-23(2)3)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h11-13,18-21,23-25H,4-10,14-17,22H2,1-3H3
InChIKeyQXULEBLNXNQERF-UHFFFAOYSA-N
MW466.65 g/mol
LogP8.70
Rot. Bonds9

About dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane

dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane (PubChem CID 70881184) has the molecular formula C30H43O2P and a molecular weight of 466.65 g/mol. Its IUPAC name is dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane
PubChem CID70881184
Molecular FormulaC30H43O2P
Molecular Weight466.65 g/mol
Exact Mass466.30
IUPAC Namedicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane
SMILESCCCOc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H43O2P/c1-4-22-31-27-19-13-20-28(32-23(2)3)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h11-13,18-21,23-25H,4-10,14-17,22H2,1-3H3
InChIKeyQXULEBLNXNQERF-UHFFFAOYSA-N
XLogP8.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.65
LogP ≤ 58.70
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 dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane (CID 70881184) is dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane is CCCOc1cccc(OC(C)C)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane?
The InChIKey is QXULEBLNXNQERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43O2P/c1-4-22-31-27-19-13-20-28(32-23(2)3)30(27)26-18-11-12-21-29(26)33(24-14-7-5-8-15-24)25-16-9-6-10-17-25/h11-13,18-21,23-25H,4-10,14-17,22H2,1-3H3.
What are the key properties of dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane?
dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane has a molecular weight of 466.65 g/mol, XLogP of 8.70, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2-propan-2-yloxy-6-propoxyphenyl)phenyl]phosphane is sourced from PubChem (CID 70881184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).