ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane

C27H42O3 — CID 91084100

IUPACethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane
SMILESCC.CC.CCC.COCC(O)COc1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/C10H14O3.C10H8.C3H8.2C2H6/c1-12-7-9(11)8-13-10-5-3-2-4-6-10;1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;2*1-2/h2-6,9,11H,7-8H2,1H3;1-8H;3H2,1-2H3;2*1-2H3
InChIKeyGXOIJYYFQZJTKB-UHFFFAOYSA-N
MW414.63 g/mol
LogP7.38
Rot. Bonds5

About ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane

ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane (PubChem CID 91084100) has the molecular formula C27H42O3 and a molecular weight of 414.63 g/mol. Its IUPAC name is ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane.

Molecular Properties

Compound Nameethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane
PubChem CID91084100
Molecular FormulaC27H42O3
Molecular Weight414.63 g/mol
Exact Mass414.31
IUPAC Nameethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane
SMILESCC.CC.CCC.COCC(O)COc1ccccc1.c1ccc2ccccc2c1
InChIInChI=1S/C10H14O3.C10H8.C3H8.2C2H6/c1-12-7-9(11)8-13-10-5-3-2-4-6-10;1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;2*1-2/h2-6,9,11H,7-8H2,1H3;1-8H;3H2,1-2H3;2*1-2H3
InChIKeyGXOIJYYFQZJTKB-UHFFFAOYSA-N
XLogP7.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.63
LogP ≤ 57.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

anisole;ethane;methane;bis(3-phenoxypropane-1,2-diol);propane;yttrium
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ethane;2-methylpropane;tris(3-phenoxypropane-1,2-diol);propane
CID 162110653
ethane;1-phenoxypropan-2-ol;propane
CID 90979198
(2R)-1-butoxy-3-phenoxypropan-2-ol
CID 36688222
(2-hydroxy-3-methoxypropyl)-dimethyl-(2-phenoxyethyl)azanium
CID 155656966
1-(4-fluorophenoxy)-3-methoxypropan-2-ol
CID 86691234
1-aminooxy-3-phenoxypropan-2-ol
CID 13273091
1-(2-hydroxyethoxy)-3-phenoxypropan-2-ol
CID 70425205
3-phenoxypropane-1,2-diol
CID 158587241
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
3-phenoxypropane-1,2-diol
CID 10857
ethane;1-phenoxypropan-2-ol
CID 90926921

Frequently Asked Questions

What is the IUPAC name of ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane?
The IUPAC name of ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane (CID 91084100) is ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane.
What is the SMILES notation for ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane?
The canonical SMILES for ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane is CC.CC.CCC.COCC(O)COc1ccccc1.c1ccc2ccccc2c1.
What is the InChIKey of ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane?
The InChIKey is GXOIJYYFQZJTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3.C10H8.C3H8.2C2H6/c1-12-7-9(11)8-13-10-5-3-2-4-6-10;1-2-6-10-8-4-3-7-9(10)5-1;1-3-2;2*1-2/h2-6,9,11H,7-8H2,1H3;1-8H;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane?
ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane has a molecular weight of 414.63 g/mol, XLogP of 7.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methoxy-3-phenoxypropan-2-ol;naphthalene;propane is sourced from PubChem (CID 91084100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).