[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene

C11H16O — CID 25240077

IUPAC[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene
SMILES[2H][C@H](CC)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C11H16O/c1-3-7-10(2)12-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3/t10-/m1/s1/i7D/t7-,10-
InChIKeyLIJRCJHHPRMIEX-NJAYQLPCSA-N
MW165.25 g/mol
LogP3.25
Rot. Bonds4

About [(2R,3R)-3-deuteriopentan-2-yl]oxybenzene

[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene (PubChem CID 25240077) has the molecular formula C11H16O and a molecular weight of 165.25 g/mol. Its IUPAC name is [(2R,3R)-3-deuteriopentan-2-yl]oxybenzene.

Molecular Properties

Compound Name[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene
PubChem CID25240077
Molecular FormulaC11H16O
Molecular Weight165.25 g/mol
Exact Mass165.13
IUPAC Name[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene
SMILES[2H][C@H](CC)[C@@H](C)Oc1ccccc1
InChIInChI=1S/C11H16O/c1-3-7-10(2)12-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3/t10-/m1/s1/i7D/t7-,10-
InChIKeyLIJRCJHHPRMIEX-NJAYQLPCSA-N
XLogP3.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

decan-2-yloxybenzene
CID 12838331
benzene;ethane;2-phenoxypropan-1-ol
CID 145115512
[(3S,4S)-4-deuteriooctan-3-yl]oxybenzene
CID 10655951
N,N-dimethyl-2-phenoxypropan-1-amine
CID 15082323
1-nonoxypropan-2-yloxybenzene
CID 154296421
4,4-dimethylhexan-2-yloxybenzene
CID 143103780
N-(2-phenoxypropyl)butan-2-amine
CID 54802133
3-methylhexan-2-yloxybenzene
CID 150585965
N,N-dimethyl-2-phenoxypropan-1-amine;hydrochloride
CID 117066903
[(2R,3S)-2-deuteriooctan-3-yl]oxybenzene
CID 25240766
1-phenoxypentan-1-amine
CID 68557687
1,1-diethyl-2-(3-phenoxybutyl)hydrazine
CID 70360560

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-3-deuteriopentan-2-yl]oxybenzene?
The IUPAC name of [(2R,3R)-3-deuteriopentan-2-yl]oxybenzene (CID 25240077) is [(2R,3R)-3-deuteriopentan-2-yl]oxybenzene.
What is the SMILES notation for [(2R,3R)-3-deuteriopentan-2-yl]oxybenzene?
The canonical SMILES for [(2R,3R)-3-deuteriopentan-2-yl]oxybenzene is [2H][C@H](CC)[C@@H](C)Oc1ccccc1.
What is the InChIKey of [(2R,3R)-3-deuteriopentan-2-yl]oxybenzene?
The InChIKey is LIJRCJHHPRMIEX-NJAYQLPCSA-N. The full InChI is InChI=1S/C11H16O/c1-3-7-10(2)12-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3/t10-/m1/s1/i7D/t7-,10-.
What are the key properties of [(2R,3R)-3-deuteriopentan-2-yl]oxybenzene?
[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene has a molecular weight of 165.25 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-3-deuteriopentan-2-yl]oxybenzene is sourced from PubChem (CID 25240077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).