ethane;(2R)-2-phenylpropan-1-ol

C11H18O — CID 160644449

IUPACethane;(2R)-2-phenylpropan-1-ol
SMILESCC.C[C@@H](CO)c1ccccc1
InChIInChI=1S/C9H12O.C2H6/c1-8(7-10)9-5-3-2-4-6-9;1-2/h2-6,8,10H,7H2,1H3;1-2H3/t8-;/m0./s1
InChIKeyRJPIQQSZUKNTMY-QRPNPIFTSA-N
MW166.26 g/mol
LogP2.81
Rot. Bonds2

About ethane;(2R)-2-phenylpropan-1-ol

ethane;(2R)-2-phenylpropan-1-ol (PubChem CID 160644449) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is ethane;(2R)-2-phenylpropan-1-ol.

Molecular Properties

Compound Nameethane;(2R)-2-phenylpropan-1-ol
PubChem CID160644449
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Nameethane;(2R)-2-phenylpropan-1-ol
SMILESCC.C[C@@H](CO)c1ccccc1
InChIInChI=1S/C9H12O.C2H6/c1-8(7-10)9-5-3-2-4-6-9;1-2/h2-6,8,10H,7H2,1H3;1-2H3/t8-;/m0./s1
InChIKeyRJPIQQSZUKNTMY-QRPNPIFTSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
bis(2-phenyloxirane);2-phenylpropan-1-ol
CID 161299790
(2S)-2-[4-(hydroxymethyl)phenyl]propan-1-ol
CID 10374791
(2R)-2-(4-fluorophenyl)propan-1-ol
CID 12969934
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
3-phenylbutane-1,1-diol
CID 18417931
(2R)-3-[(2S)-2-phenylpropyl]sulfanylpropane-1,2-diol
CID 97087748
2-(3-methylphenyl)propan-1-ol
CID 21478686
(4R)-2,2-dimethyl-4-phenylpentan-1-ol
CID 135189920
3-(difluoromethylidene)-2-methyl-5-phenylhexan-1-ol
CID 101081484
ethane;(1R)-1-phenylethanamine
CID 142977390
2-[(2S)-2-phenylpropoxy]ethanol
CID 146643647

Frequently Asked Questions

What is the IUPAC name of ethane;(2R)-2-phenylpropan-1-ol?
The IUPAC name of ethane;(2R)-2-phenylpropan-1-ol (CID 160644449) is ethane;(2R)-2-phenylpropan-1-ol.
What is the SMILES notation for ethane;(2R)-2-phenylpropan-1-ol?
The canonical SMILES for ethane;(2R)-2-phenylpropan-1-ol is CC.C[C@@H](CO)c1ccccc1.
What is the InChIKey of ethane;(2R)-2-phenylpropan-1-ol?
The InChIKey is RJPIQQSZUKNTMY-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H12O.C2H6/c1-8(7-10)9-5-3-2-4-6-9;1-2/h2-6,8,10H,7H2,1H3;1-2H3/t8-;/m0./s1.
What are the key properties of ethane;(2R)-2-phenylpropan-1-ol?
ethane;(2R)-2-phenylpropan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2R)-2-phenylpropan-1-ol is sourced from PubChem (CID 160644449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).