[3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane

C18H23O2P — CID 167595135

IUPAC[3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane
SMILESCC(C)Oc1ccc(P)c(OC(C)C)c1-c1ccccc1
InChIInChI=1S/C18H23O2P/c1-12(2)19-15-10-11-16(21)18(20-13(3)4)17(15)14-8-6-5-7-9-14/h5-13H,21H2,1-4H3
InChIKeyIYRSBWDRBNLBGP-UHFFFAOYSA-N
MW302.35 g/mol
LogP4.43
Rot. Bonds5

About [3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane

[3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane (PubChem CID 167595135) has the molecular formula C18H23O2P and a molecular weight of 302.35 g/mol. Its IUPAC name is [3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane.

Molecular Properties

Compound Name[3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane
PubChem CID167595135
Molecular FormulaC18H23O2P
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name[3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane
SMILESCC(C)Oc1ccc(P)c(OC(C)C)c1-c1ccccc1
InChIInChI=1S/C18H23O2P/c1-12(2)19-15-10-11-16(21)18(20-13(3)4)17(15)14-8-6-5-7-9-14/h5-13H,21H2,1-4H3
InChIKeyIYRSBWDRBNLBGP-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane 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

Precocene I
CID 28619
2,3',4,5'-Tetramethoxystilbene
CID 5354004
2-(((1,1'-Biphenyl)-2-yloxy)methyl)oxirane
CID 97875
Xenognosin
CID 5281296
2,6-Dimethoxytoluene
CID 79755
3-Methoxy-4-((2E)-3-phenyl-2-propen-1-yl)phenol
CID 6450240
Broussonin A
CID 5315502
Homopterocarpin
CID 101795
7-Hydroxy-5-methoxyflavan
CID 342294
Tupichinol C
CID 11064571
3,3',5-Trimethoxybibenzyl
CID 15693460
4-(3-(2,4,6-Trimethoxyphenyl)propyl)benzene-1,3-diol
CID 44611843

Frequently Asked Questions

What is the IUPAC name of [3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane?
The IUPAC name of [3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane (CID 167595135) is [3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane.
What is the SMILES notation for [3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane?
The canonical SMILES for [3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane is CC(C)Oc1ccc(P)c(OC(C)C)c1-c1ccccc1.
What is the InChIKey of [3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane?
The InChIKey is IYRSBWDRBNLBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23O2P/c1-12(2)19-15-10-11-16(21)18(20-13(3)4)17(15)14-8-6-5-7-9-14/h5-13H,21H2,1-4H3.
What are the key properties of [3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane?
[3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane has a molecular weight of 302.35 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-phenyl-2,4-di(propan-2-yloxy)phenyl]phosphane is sourced from PubChem (CID 167595135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).