(2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane

C18H22FOP — CID 71040209

IUPAC(2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
SMILESCCC(C)(Pc1ccccc1F)c1cc(C)ccc1OC
InChIInChI=1S/C18H22FOP/c1-5-18(3,21-17-9-7-6-8-15(17)19)14-12-13(2)10-11-16(14)20-4/h6-12,21H,5H2,1-4H3
InChIKeyNJYNYGRZYZXBSM-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.77
Rot. Bonds5

About (2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane

(2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane (PubChem CID 71040209) has the molecular formula C18H22FOP and a molecular weight of 304.35 g/mol. Its IUPAC name is (2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane.

Molecular Properties

Compound Name(2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
PubChem CID71040209
Molecular FormulaC18H22FOP
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name(2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
SMILESCCC(C)(Pc1ccccc1F)c1cc(C)ccc1OC
InChIInChI=1S/C18H22FOP/c1-5-18(3,21-17-9-7-6-8-15(17)19)14-12-13(2)10-11-16(14)20-4/h6-12,21H,5H2,1-4H3
InChIKeyNJYNYGRZYZXBSM-UHFFFAOYSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]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

chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 89214237
2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane
CID 89214352
[5-methyl-2-[2-(5-methyl-2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methanol
CID 71039834
1-[2-[2-(2-methoxyphenyl)butan-2-ylphosphanyl]phenyl]ethanone
CID 71040189
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile
CID 55026470
2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-(6-methylcyclohexa-1,5-dien-1-yl)phosphane
CID 88987772
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine
CID 62594384
2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene
CID 63443769
2-[3-(2-methoxyphenyl)pentan-3-ylphosphanyl]-5-methylbenzaldehyde
CID 88968935
2-[2-[2-(hydroxymethyl)phenyl]phosphanylbutan-2-yl]-4-methoxyphenol
CID 71039887

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane?
The IUPAC name of (2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane (CID 71040209) is (2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane.
What is the SMILES notation for (2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane?
The canonical SMILES for (2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane is CCC(C)(Pc1ccccc1F)c1cc(C)ccc1OC.
What is the InChIKey of (2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane?
The InChIKey is NJYNYGRZYZXBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FOP/c1-5-18(3,21-17-9-7-6-8-15(17)19)14-12-13(2)10-11-16(14)20-4/h6-12,21H,5H2,1-4H3.
What are the key properties of (2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane?
(2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane has a molecular weight of 304.35 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane is sourced from PubChem (CID 71040209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).