(4-octoxyphenyl)-phenylphosphane

C20H27OP — CID 157378460

IUPAC(4-octoxyphenyl)-phenylphosphane
SMILESCCCCCCCCOc1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C20H27OP/c1-2-3-4-5-6-10-17-21-18-13-15-20(16-14-18)22-19-11-8-7-9-12-19/h7-9,11-16,22H,2-6,10,17H2,1H3
InChIKeyBRUOGXNWCGIQLE-UHFFFAOYSA-N
MW314.41 g/mol
LogP5.06
Rot. Bonds10

About (4-octoxyphenyl)-phenylphosphane

(4-octoxyphenyl)-phenylphosphane (PubChem CID 157378460) has the molecular formula C20H27OP and a molecular weight of 314.41 g/mol. Its IUPAC name is (4-octoxyphenyl)-phenylphosphane.

Molecular Properties

Compound Name(4-octoxyphenyl)-phenylphosphane
PubChem CID157378460
Molecular FormulaC20H27OP
Molecular Weight314.41 g/mol
Exact Mass314.18
IUPAC Name(4-octoxyphenyl)-phenylphosphane
SMILESCCCCCCCCOc1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C20H27OP/c1-2-3-4-5-6-10-17-21-18-13-15-20(16-14-18)22-19-11-8-7-9-12-19/h7-9,11-16,22H,2-6,10,17H2,1H3
InChIKeyBRUOGXNWCGIQLE-UHFFFAOYSA-N
XLogP5.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 55.06
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-decoxyphenyl)-phenylphosphane
CID 151554619
(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-octoxyphenyl)-phenylphosphane?
The IUPAC name of (4-octoxyphenyl)-phenylphosphane (CID 157378460) is (4-octoxyphenyl)-phenylphosphane.
What is the SMILES notation for (4-octoxyphenyl)-phenylphosphane?
The canonical SMILES for (4-octoxyphenyl)-phenylphosphane is CCCCCCCCOc1ccc(Pc2ccccc2)cc1.
What is the InChIKey of (4-octoxyphenyl)-phenylphosphane?
The InChIKey is BRUOGXNWCGIQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27OP/c1-2-3-4-5-6-10-17-21-18-13-15-20(16-14-18)22-19-11-8-7-9-12-19/h7-9,11-16,22H,2-6,10,17H2,1H3.
What are the key properties of (4-octoxyphenyl)-phenylphosphane?
(4-octoxyphenyl)-phenylphosphane has a molecular weight of 314.41 g/mol, XLogP of 5.06, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-octoxyphenyl)-phenylphosphane is sourced from PubChem (CID 157378460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).