ethane;1-phenoxypropan-2-ol

C11H18O2 — CID 90926921

IUPACethane;1-phenoxypropan-2-ol
SMILESCC.CC(O)COc1ccccc1
InChIInChI=1S/C9H12O2.C2H6/c1-8(10)7-11-9-5-3-2-4-6-9;1-2/h2-6,8,10H,7H2,1H3;1-2H3
InChIKeyDYKCQVAKIUYZQI-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.47
Rot. Bonds3

About ethane;1-phenoxypropan-2-ol

ethane;1-phenoxypropan-2-ol (PubChem CID 90926921) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethane;1-phenoxypropan-2-ol.

Molecular Properties

Compound Nameethane;1-phenoxypropan-2-ol
PubChem CID90926921
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethane;1-phenoxypropan-2-ol
SMILESCC.CC(O)COc1ccccc1
InChIInChI=1S/C9H12O2.C2H6/c1-8(10)7-11-9-5-3-2-4-6-9;1-2/h2-6,8,10H,7H2,1H3;1-2H3
InChIKeyDYKCQVAKIUYZQI-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S)-1-(3-benzylphenoxy)propan-2-ol
CID 121250409
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Frequently Asked Questions

What is the IUPAC name of ethane;1-phenoxypropan-2-ol?
The IUPAC name of ethane;1-phenoxypropan-2-ol (CID 90926921) is ethane;1-phenoxypropan-2-ol.
What is the SMILES notation for ethane;1-phenoxypropan-2-ol?
The canonical SMILES for ethane;1-phenoxypropan-2-ol is CC.CC(O)COc1ccccc1.
What is the InChIKey of ethane;1-phenoxypropan-2-ol?
The InChIKey is DYKCQVAKIUYZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C2H6/c1-8(10)7-11-9-5-3-2-4-6-9;1-2/h2-6,8,10H,7H2,1H3;1-2H3.
What are the key properties of ethane;1-phenoxypropan-2-ol?
ethane;1-phenoxypropan-2-ol has a molecular weight of 182.26 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-phenoxypropan-2-ol is sourced from PubChem (CID 90926921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).