(2,4-dimethoxy-3-phenylphenyl)-hexylphosphane

C20H27O2P — CID 67542071

IUPAC(2,4-dimethoxy-3-phenylphenyl)-hexylphosphane
SMILESCCCCCCPc1ccc(OC)c(-c2ccccc2)c1OC
InChIInChI=1S/C20H27O2P/c1-4-5-6-10-15-23-18-14-13-17(21-2)19(20(18)22-3)16-11-8-7-9-12-16/h7-9,11-14,23H,4-6,10,15H2,1-3H3
InChIKeyVQUBXUVZDFMTQX-UHFFFAOYSA-N
MW330.41 g/mol
LogP5.25
Rot. Bonds9

About (2,4-dimethoxy-3-phenylphenyl)-hexylphosphane

(2,4-dimethoxy-3-phenylphenyl)-hexylphosphane (PubChem CID 67542071) has the molecular formula C20H27O2P and a molecular weight of 330.41 g/mol. Its IUPAC name is (2,4-dimethoxy-3-phenylphenyl)-hexylphosphane.

Molecular Properties

Compound Name(2,4-dimethoxy-3-phenylphenyl)-hexylphosphane
PubChem CID67542071
Molecular FormulaC20H27O2P
Molecular Weight330.41 g/mol
Exact Mass330.17
IUPAC Name(2,4-dimethoxy-3-phenylphenyl)-hexylphosphane
SMILESCCCCCCPc1ccc(OC)c(-c2ccccc2)c1OC
InChIInChI=1S/C20H27O2P/c1-4-5-6-10-15-23-18-14-13-17(21-2)19(20(18)22-3)16-11-8-7-9-12-16/h7-9,11-14,23H,4-6,10,15H2,1-3H3
InChIKeyVQUBXUVZDFMTQX-UHFFFAOYSA-N
XLogP5.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.41
LogP ≤ 55.25
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

hexylphosphanyl 2,4-dimethoxy-3-phenylbenzenesulfonate
CID 170359256
cyclohexyl-(2,4-dimethoxy-3-phenylphenyl)phosphane
CID 67507588
2,4-dimethoxy-3-phenylaniline
CID 165495221
2-methoxy-1-[2-(2-methoxynaphthalen-1-yl)-3,4,5,6-tetraphenylphenyl]naphthalene
CID 11017918
hexadecyl(phenyl)phosphane
CID 23361411
nonyl(phenyl)phosphane
CID 69424973
1,1'-biphenyl;hexadecane
CID 173308514
hexyl(phenyl)phosphane;dihydrochloride
CID 175399433
acridin-1-yl(pentyl)phosphane
CID 174995472
(2,4-dimethoxy-3-phenylphenyl)phosphonic acid
CID 174858639
1,3-dimethoxy-2-phenylbenzene;hydrochloride
CID 175871248
hexyl-(2,3,4-trimethylphenyl)phosphane
CID 90109528

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxy-3-phenylphenyl)-hexylphosphane?
The IUPAC name of (2,4-dimethoxy-3-phenylphenyl)-hexylphosphane (CID 67542071) is (2,4-dimethoxy-3-phenylphenyl)-hexylphosphane.
What is the SMILES notation for (2,4-dimethoxy-3-phenylphenyl)-hexylphosphane?
The canonical SMILES for (2,4-dimethoxy-3-phenylphenyl)-hexylphosphane is CCCCCCPc1ccc(OC)c(-c2ccccc2)c1OC.
What is the InChIKey of (2,4-dimethoxy-3-phenylphenyl)-hexylphosphane?
The InChIKey is VQUBXUVZDFMTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27O2P/c1-4-5-6-10-15-23-18-14-13-17(21-2)19(20(18)22-3)16-11-8-7-9-12-16/h7-9,11-14,23H,4-6,10,15H2,1-3H3.
What are the key properties of (2,4-dimethoxy-3-phenylphenyl)-hexylphosphane?
(2,4-dimethoxy-3-phenylphenyl)-hexylphosphane has a molecular weight of 330.41 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxy-3-phenylphenyl)-hexylphosphane is sourced from PubChem (CID 67542071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).