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

C12H18ClOP — CID 89214237

IUPACchloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
SMILESCCC(C)(PCl)c1cc(C)ccc1OC
InChIInChI=1S/C12H18ClOP/c1-5-12(3,15-13)10-8-9(2)6-7-11(10)14-4/h6-8,15H,5H2,1-4H3
InChIKeyXGJHZTHVWJXYNN-UHFFFAOYSA-N
MW244.70 g/mol
LogP4.46
Rot. Bonds4

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

chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane (PubChem CID 89214237) has the molecular formula C12H18ClOP and a molecular weight of 244.70 g/mol. Its IUPAC name is chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane.

Molecular Properties

Compound Namechloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
PubChem CID89214237
Molecular FormulaC12H18ClOP
Molecular Weight244.70 g/mol
Exact Mass244.08
IUPAC Namechloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
SMILESCCC(C)(PCl)c1cc(C)ccc1OC
InChIInChI=1S/C12H18ClOP/c1-5-12(3,15-13)10-8-9(2)6-7-11(10)14-4/h6-8,15H,5H2,1-4H3
InChIKeyXGJHZTHVWJXYNN-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.70
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl)-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane
CID 71040209
3-(2-methoxy-5-methylphenyl)pentan-3-ol
CID 62796425
2-ethyl-2-(2-methoxy-5-methylphenyl)butanenitrile
CID 55026470
1,1,1-trifluoro-2-(2-methoxy-5-methylphenyl)butan-2-ol
CID 83958038
2-(2-methoxy-5-methylphenyl)-N-methylpropan-2-amine
CID 82281676
1-iodo-2-(2-methoxy-5-methylphenyl)propan-2-ol
CID 131862050
4-(2-methoxy-5-methylphenyl)heptan-4-amine
CID 54886794
N,2-diethyl-2-(2-methoxy-5-methylphenyl)butan-1-amine
CID 62594384
2-[2-(methoxymethoxy)-5-methylphenyl]butan-2-yl-[4-methyl-2-(trifluoromethyl)phenyl]phosphane
CID 89214352
chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane
CID 88969094
ethyl 2-amino-2-(2-methoxy-5-methylphenyl)butanoate
CID 5022792
2,2-dimethoxy-2-(2-methoxy-5-methylphenyl)ethanamine
CID 79016908

Frequently Asked Questions

What is the IUPAC name of chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane?
The IUPAC name of chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane (CID 89214237) is chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane.
What is the SMILES notation for chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane?
The canonical SMILES for chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane is CCC(C)(PCl)c1cc(C)ccc1OC.
What is the InChIKey of chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane?
The InChIKey is XGJHZTHVWJXYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClOP/c1-5-12(3,15-13)10-8-9(2)6-7-11(10)14-4/h6-8,15H,5H2,1-4H3.
What are the key properties of chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane?
chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane has a molecular weight of 244.70 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[2-(2-methoxy-5-methylphenyl)butan-2-yl]phosphane is sourced from PubChem (CID 89214237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).