3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol

C14H23AsO — CID 87967492

IUPAC3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol
SMILESCCC(c1cccc(O)c1)C(C)C[As](C)C
InChIInChI=1S/C14H23AsO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3
InChIKeyIETFLCCAOPNJGH-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.28
Rot. Bonds5

About 3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol

3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol (PubChem CID 87967492) has the molecular formula C14H23AsO and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol.

Molecular Properties

Compound Name3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol
PubChem CID87967492
Molecular FormulaC14H23AsO
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol
SMILESCCC(c1cccc(O)c1)C(C)C[As](C)C
InChIInChI=1S/C14H23AsO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3
InChIKeyIETFLCCAOPNJGH-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol?
The IUPAC name of 3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol (CID 87967492) is 3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol.
What is the SMILES notation for 3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol?
The canonical SMILES for 3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol is CCC(c1cccc(O)c1)C(C)C[As](C)C.
What is the InChIKey of 3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol?
The InChIKey is IETFLCCAOPNJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23AsO/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12/h6-9,11,14,16H,5,10H2,1-4H3.
What are the key properties of 3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol?
3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol has a molecular weight of 282.26 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-dimethylarsanyl-2-methylpentan-3-yl)phenol is sourced from PubChem (CID 87967492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).