ethane;2-(3-phenyloxiran-2-yl)ethanol

C12H18O2 — CID 143522200

IUPACethane;2-(3-phenyloxiran-2-yl)ethanol
SMILESCC.OCCC1OC1c1ccccc1
InChIInChI=1S/C10H12O2.C2H6/c11-7-6-9-10(12-9)8-4-2-1-3-5-8;1-2/h1-5,9-11H,6-7H2;1-2H3
InChIKeyGRFPGXADKVWEOB-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.54
Rot. Bonds3

About ethane;2-(3-phenyloxiran-2-yl)ethanol

ethane;2-(3-phenyloxiran-2-yl)ethanol (PubChem CID 143522200) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is ethane;2-(3-phenyloxiran-2-yl)ethanol.

Molecular Properties

Compound Nameethane;2-(3-phenyloxiran-2-yl)ethanol
PubChem CID143522200
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nameethane;2-(3-phenyloxiran-2-yl)ethanol
SMILESCC.OCCC1OC1c1ccccc1
InChIInChI=1S/C10H12O2.C2H6/c11-7-6-9-10(12-9)8-4-2-1-3-5-8;1-2/h1-5,9-11H,6-7H2;1-2H3
InChIKeyGRFPGXADKVWEOB-UHFFFAOYSA-N
XLogP2.54
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(3-bromopropyl)-3-phenyloxirane
CID 134870798
2-[(4S,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]ethanol
CID 118151829
2-[(4S,5R)-3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-yl]ethanol
CID 102331412
1-phenyl-3-[(2R,3R)-3-phenyloxiran-2-yl]propan-1-one
CID 13215527
1-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]propan-1-one
CID 11184316
[(2R,3S)-3-phenyloxiran-2-yl]methanamine
CID 10964671
(2R,3S)-2-(chloromethyl)-3-phenyloxirane
CID 55301046
(2S,3R)-2-(chloromethyl)-3-phenyloxirane
CID 11052058
3-(2-ethenyl-5-phenyl-1,3-dioxolan-4-yl)propan-1-ol
CID 154130862
2-[(2R,3S)-3-phenyloxiran-2-yl]acetic acid
CID 135891060
[(2R,3R,4S,5S)-3,4-dimethoxy-5-phenyloxolan-2-yl]methanol
CID 156513644
2-[(3E)-hexa-3,5-dienyl]-3-phenyloxirane
CID 22768325

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-phenyloxiran-2-yl)ethanol?
The IUPAC name of ethane;2-(3-phenyloxiran-2-yl)ethanol (CID 143522200) is ethane;2-(3-phenyloxiran-2-yl)ethanol.
What is the SMILES notation for ethane;2-(3-phenyloxiran-2-yl)ethanol?
The canonical SMILES for ethane;2-(3-phenyloxiran-2-yl)ethanol is CC.OCCC1OC1c1ccccc1.
What is the InChIKey of ethane;2-(3-phenyloxiran-2-yl)ethanol?
The InChIKey is GRFPGXADKVWEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C2H6/c11-7-6-9-10(12-9)8-4-2-1-3-5-8;1-2/h1-5,9-11H,6-7H2;1-2H3.
What are the key properties of ethane;2-(3-phenyloxiran-2-yl)ethanol?
ethane;2-(3-phenyloxiran-2-yl)ethanol has a molecular weight of 194.27 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-phenyloxiran-2-yl)ethanol is sourced from PubChem (CID 143522200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).