(4-decoxyphenyl)-phenylphosphane

C22H31OP — CID 151554619

IUPAC(4-decoxyphenyl)-phenylphosphane
SMILESCCCCCCCCCCOc1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C22H31OP/c1-2-3-4-5-6-7-8-12-19-23-20-15-17-22(18-16-20)24-21-13-10-9-11-14-21/h9-11,13-18,24H,2-8,12,19H2,1H3
InChIKeyQBFDQQUVYISTSG-UHFFFAOYSA-N
MW342.46 g/mol
LogP5.84
Rot. Bonds12

About (4-decoxyphenyl)-phenylphosphane

(4-decoxyphenyl)-phenylphosphane (PubChem CID 151554619) has the molecular formula C22H31OP and a molecular weight of 342.46 g/mol. Its IUPAC name is (4-decoxyphenyl)-phenylphosphane.

Molecular Properties

Compound Name(4-decoxyphenyl)-phenylphosphane
PubChem CID151554619
Molecular FormulaC22H31OP
Molecular Weight342.46 g/mol
Exact Mass342.21
IUPAC Name(4-decoxyphenyl)-phenylphosphane
SMILESCCCCCCCCCCOc1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C22H31OP/c1-2-3-4-5-6-7-8-12-19-23-20-15-17-22(18-16-20)24-21-13-10-9-11-14-21/h9-11,13-18,24H,2-8,12,19H2,1H3
InChIKeyQBFDQQUVYISTSG-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.46
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(4-octoxyphenyl)-phenylphosphane
CID 157378460
(4-decoxyphenyl)-phenylphosphane;trifluoromethanesulfonic acid
CID 162622791
pentoxybenzene;undecane
CID 174778179
diphenylphosphane;octane
CID 19797985
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1,4-dipentoxybenzene
CID 18314717
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981
1-pentoxy-4-phenylbenzene
CID 7021155
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857

Frequently Asked Questions

What is the IUPAC name of (4-decoxyphenyl)-phenylphosphane?
The IUPAC name of (4-decoxyphenyl)-phenylphosphane (CID 151554619) is (4-decoxyphenyl)-phenylphosphane.
What is the SMILES notation for (4-decoxyphenyl)-phenylphosphane?
The canonical SMILES for (4-decoxyphenyl)-phenylphosphane is CCCCCCCCCCOc1ccc(Pc2ccccc2)cc1.
What is the InChIKey of (4-decoxyphenyl)-phenylphosphane?
The InChIKey is QBFDQQUVYISTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31OP/c1-2-3-4-5-6-7-8-12-19-23-20-15-17-22(18-16-20)24-21-13-10-9-11-14-21/h9-11,13-18,24H,2-8,12,19H2,1H3.
What are the key properties of (4-decoxyphenyl)-phenylphosphane?
(4-decoxyphenyl)-phenylphosphane has a molecular weight of 342.46 g/mol, XLogP of 5.84, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-decoxyphenyl)-phenylphosphane is sourced from PubChem (CID 151554619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).