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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Related Compounds

3-[(3S,4R)-4-(3-hydroxyphenyl)hexan-3-yl]phenol
CID 6917687
3-[(2R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrochloride
CID 69349289
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane
CID 159304421
3-[(2R,3R)-1-(dibenzylamino)-2-methylpentan-3-yl]phenol
CID 118204770
3-[1-[[5-(dimethylamino)-3-(3-hydroxyphenyl)-2,4-dimethylpentyl]-methylamino]-2-methylpentan-3-yl]phenol
CID 123630245
(Z)-but-2-enedioic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
CID 51042275
3-[5-(dimethylamino)-4-methylhex-5-en-3-yl]phenol
CID 126510595
3-[(1S)-1-aminopropyl]phenol;hydrochloride
CID 138989201
(Z)-but-2-enedioic acid;3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrate
CID 90279936
4-(4-methylhexan-3-yl)phenol
CID 123259382
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;pyridine-3-carboxylic acid
CID 66680084
(3S)-3-(3-hydroxyphenyl)-2-methylheptanoic acid
CID 67428563

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).