2-[(2S)-2-phenylpropoxy]ethanol

C11H16O2 — CID 146643647

IUPAC2-[(2S)-2-phenylpropoxy]ethanol
SMILESC[C@H](COCCO)c1ccccc1
InChIInChI=1S/C11H16O2/c1-10(9-13-8-7-12)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m1/s1
InChIKeyFNJARKIVFPPPNV-SNVBAGLBSA-N
MW180.25 g/mol
LogP1.80
Rot. Bonds5

About 2-[(2S)-2-phenylpropoxy]ethanol

2-[(2S)-2-phenylpropoxy]ethanol (PubChem CID 146643647) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-[(2S)-2-phenylpropoxy]ethanol.

Molecular Properties

Compound Name2-[(2S)-2-phenylpropoxy]ethanol
PubChem CID146643647
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name2-[(2S)-2-phenylpropoxy]ethanol
SMILESC[C@H](COCCO)c1ccccc1
InChIInChI=1S/C11H16O2/c1-10(9-13-8-7-12)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m1/s1
InChIKeyFNJARKIVFPPPNV-SNVBAGLBSA-N
XLogP1.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-2-phenylpropoxy]acetic acid
CID 124585460
1-octoxypropan-2-ylbenzene
CID 77473849
1-methoxypropan-2-ylbenzene;uranium
CID 145056385
cumene;2-(2-fluoroethoxy)ethanol
CID 142309026
2-[3-(3-phenylbutylamino)propoxy]ethanol
CID 107095408
bis(2-phenylpropoxy)methanol
CID 89428538
1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
CID 141183256
2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol
CID 70556867
[(2S)-1-propan-2-yloxypropan-2-yl]benzene
CID 157034832
cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123989591
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-phenylpropoxy]ethanol?
The IUPAC name of 2-[(2S)-2-phenylpropoxy]ethanol (CID 146643647) is 2-[(2S)-2-phenylpropoxy]ethanol.
What is the SMILES notation for 2-[(2S)-2-phenylpropoxy]ethanol?
The canonical SMILES for 2-[(2S)-2-phenylpropoxy]ethanol is C[C@H](COCCO)c1ccccc1.
What is the InChIKey of 2-[(2S)-2-phenylpropoxy]ethanol?
The InChIKey is FNJARKIVFPPPNV-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16O2/c1-10(9-13-8-7-12)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3/t10-/m1/s1.
What are the key properties of 2-[(2S)-2-phenylpropoxy]ethanol?
2-[(2S)-2-phenylpropoxy]ethanol has a molecular weight of 180.25 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-phenylpropoxy]ethanol is sourced from PubChem (CID 146643647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).