chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane

C11H16ClOP — CID 168765246

IUPACchloro-[3-(3,5-dimethylphenyl)propoxy]phosphane
SMILESCc1cc(C)cc(CCCOPCl)c1
InChIInChI=1S/C11H16ClOP/c1-9-6-10(2)8-11(7-9)4-3-5-13-14-12/h6-8,14H,3-5H2,1-2H3
InChIKeyWCISPASIMLFMHH-UHFFFAOYSA-N
MW230.67 g/mol
LogP4.00
Rot. Bonds5

About chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane

chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane (PubChem CID 168765246) has the molecular formula C11H16ClOP and a molecular weight of 230.67 g/mol. Its IUPAC name is chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane.

Molecular Properties

Compound Namechloro-[3-(3,5-dimethylphenyl)propoxy]phosphane
PubChem CID168765246
Molecular FormulaC11H16ClOP
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Namechloro-[3-(3,5-dimethylphenyl)propoxy]phosphane
SMILESCc1cc(C)cc(CCCOPCl)c1
InChIInChI=1S/C11H16ClOP/c1-9-6-10(2)8-11(7-9)4-3-5-13-14-12/h6-8,14H,3-5H2,1-2H3
InChIKeyWCISPASIMLFMHH-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 54.00
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

1-[5-(3,5-dimethylphenyl)pentyl]-3,5-dimethylbenzene
CID 22920116
1-(2-methoxyethyl)-3,5-dimethylbenzene
CID 145478416
bromo-[3-(3,5-dimethylphenyl)propyl]phosphane
CID 168765267
3-(3,5-dimethylphenyl)-N-methylpropan-1-amine
CID 54776136
1-[2-(3,5-dimethylphenyl)ethyl]-3,5-dimethylbenzene;2-phenylethylbenzene
CID 173107098
1-(chloromethyl)-3-(3-chloropropyl)-5-methylbenzene
CID 131432314
1,3-dimethyl-5-pent-4-ynylbenzene
CID 134966774
1-(3-chloro-4-methoxybutyl)-3,5-dimethylbenzene
CID 62318557
1-(3-chloropropyl)-3-fluoro-5-methylbenzene
CID 79704910
1-methyl-3,5-di(pentadecyl)benzene
CID 58289216
1-(3-chloropropyl)-3-(difluoromethyl)-5-methylbenzene
CID 134621921
3-(3-chloro-5-methylphenyl)propan-1-amine
CID 83696794

Frequently Asked Questions

What is the IUPAC name of chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane?
The IUPAC name of chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane (CID 168765246) is chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane.
What is the SMILES notation for chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane?
The canonical SMILES for chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane is Cc1cc(C)cc(CCCOPCl)c1.
What is the InChIKey of chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane?
The InChIKey is WCISPASIMLFMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClOP/c1-9-6-10(2)8-11(7-9)4-3-5-13-14-12/h6-8,14H,3-5H2,1-2H3.
What are the key properties of chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane?
chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane has a molecular weight of 230.67 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[3-(3,5-dimethylphenyl)propoxy]phosphane is sourced from PubChem (CID 168765246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).