ethane;1-phenoxypropan-2-ol;propane

C16H32O2 — CID 90979198

IUPACethane;1-phenoxypropan-2-ol;propane
SMILESCC.CC.CC(O)COc1ccccc1.CCC
InChIInChI=1S/C9H12O2.C3H8.2C2H6/c1-8(10)7-11-9-5-3-2-4-6-9;1-3-2;2*1-2/h2-6,8,10H,7H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyMSKKLGPZVPZJFK-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.91
Rot. Bonds3

About ethane;1-phenoxypropan-2-ol;propane

ethane;1-phenoxypropan-2-ol;propane (PubChem CID 90979198) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is ethane;1-phenoxypropan-2-ol;propane.

Molecular Properties

Compound Nameethane;1-phenoxypropan-2-ol;propane
PubChem CID90979198
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Nameethane;1-phenoxypropan-2-ol;propane
SMILESCC.CC.CC(O)COc1ccccc1.CCC
InChIInChI=1S/C9H12O2.C3H8.2C2H6/c1-8(10)7-11-9-5-3-2-4-6-9;1-3-2;2*1-2/h2-6,8,10H,7H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyMSKKLGPZVPZJFK-UHFFFAOYSA-N
XLogP4.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;1-phenoxypropan-2-ol;propane?
The IUPAC name of ethane;1-phenoxypropan-2-ol;propane (CID 90979198) is ethane;1-phenoxypropan-2-ol;propane.
What is the SMILES notation for ethane;1-phenoxypropan-2-ol;propane?
The canonical SMILES for ethane;1-phenoxypropan-2-ol;propane is CC.CC.CC(O)COc1ccccc1.CCC.
What is the InChIKey of ethane;1-phenoxypropan-2-ol;propane?
The InChIKey is MSKKLGPZVPZJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C3H8.2C2H6/c1-8(10)7-11-9-5-3-2-4-6-9;1-3-2;2*1-2/h2-6,8,10H,7H2,1H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-phenoxypropan-2-ol;propane?
ethane;1-phenoxypropan-2-ol;propane has a molecular weight of 256.43 g/mol, XLogP of 4.91, 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;propane is sourced from PubChem (CID 90979198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).