(2,3-dipropoxyphenyl)-diphenylphosphane

C24H27O2P — CID 13087576

IUPAC(2,3-dipropoxyphenyl)-diphenylphosphane
SMILESCCCOc1cccc(P(c2ccccc2)c2ccccc2)c1OCCC
InChIInChI=1S/C24H27O2P/c1-3-18-25-22-16-11-17-23(24(22)26-19-4-2)27(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-17H,3-4,18-19H2,1-2H3
InChIKeySXCGOPUTSUWHNE-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.02
Rot. Bonds9

About (2,3-dipropoxyphenyl)-diphenylphosphane

(2,3-dipropoxyphenyl)-diphenylphosphane (PubChem CID 13087576) has the molecular formula C24H27O2P and a molecular weight of 378.45 g/mol. Its IUPAC name is (2,3-dipropoxyphenyl)-diphenylphosphane.

Molecular Properties

Compound Name(2,3-dipropoxyphenyl)-diphenylphosphane
PubChem CID13087576
Molecular FormulaC24H27O2P
Molecular Weight378.45 g/mol
Exact Mass378.17
IUPAC Name(2,3-dipropoxyphenyl)-diphenylphosphane
SMILESCCCOc1cccc(P(c2ccccc2)c2ccccc2)c1OCCC
InChIInChI=1S/C24H27O2P/c1-3-18-25-22-16-11-17-23(24(22)26-19-4-2)27(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-17H,3-4,18-19H2,1-2H3
InChIKeySXCGOPUTSUWHNE-UHFFFAOYSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,3-dipropoxyphenyl)-diphenylphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2,6-dipropoxyphenyl)-phenylphosphane
CID 13087616
1-bromo-2,3-dipropoxybenzene
CID 91157628
[2,3-bis[(2-methylpropan-2-yl)oxy]phenyl]-diphenylphosphane
CID 13087581
1,2,3-tridodecoxybenzene
CID 11308140
potassium 2-propoxyphenolate
CID 23686802
1,2,3-trihexadecoxybenzene
CID 15518170
3-ethoxy-2-propoxyphenol
CID 174814735
1-iodo-3-phenylmethoxy-2-propoxybenzene
CID 70139895
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634
butane;triphenylphosphane
CID 161447439
(2-propoxyphenyl)boronic acid
CID 4219796
1-butoxynaphthalene
CID 13262700

Frequently Asked Questions

What is the IUPAC name of (2,3-dipropoxyphenyl)-diphenylphosphane?
The IUPAC name of (2,3-dipropoxyphenyl)-diphenylphosphane (CID 13087576) is (2,3-dipropoxyphenyl)-diphenylphosphane.
What is the SMILES notation for (2,3-dipropoxyphenyl)-diphenylphosphane?
The canonical SMILES for (2,3-dipropoxyphenyl)-diphenylphosphane is CCCOc1cccc(P(c2ccccc2)c2ccccc2)c1OCCC.
What is the InChIKey of (2,3-dipropoxyphenyl)-diphenylphosphane?
The InChIKey is SXCGOPUTSUWHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O2P/c1-3-18-25-22-16-11-17-23(24(22)26-19-4-2)27(20-12-7-5-8-13-20)21-14-9-6-10-15-21/h5-17H,3-4,18-19H2,1-2H3.
What are the key properties of (2,3-dipropoxyphenyl)-diphenylphosphane?
(2,3-dipropoxyphenyl)-diphenylphosphane has a molecular weight of 378.45 g/mol, XLogP of 5.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dipropoxyphenyl)-diphenylphosphane is sourced from PubChem (CID 13087576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).